ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate

C29H38N2O7S2Si — CID 59889206

About ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate

ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate (PubChem CID 59889206) has the molecular formula C29H38N2O7S2Si and a molecular weight of 618.85 g/mol. Its IUPAC name is ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate
• PubChem CID: 59889206
• Molecular Formula: C29H38N2O7S2Si
• Molecular Weight: 618.85 g/mol
• Exact Mass: 618.19
• IUPAC Name: ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate
• SMILES: CCOC(=O)c1cn(C2CC2)c2c(OC)c(-c3cc4c(s3)S(=O)(=O)N(C)CC4O[Si](C)(C)C(C)(C)C)ccc2c1=O
• InChI: InChI=1S/C29H38N2O7S2Si/c1-9-37-27(33)21-15-31(17-10-11-17)24-19(25(21)32)13-12-18(26(24)36-6)23-14-20-22(38-41(7,8)29(2,3)4)16-30(5)40(34,35)28(20)39-23/h12-15,17,22H,9-11,16H2,1-8H3
• InChIKey: SUHQGBKPECTRBK-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 104.14 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.85
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate?

The IUPAC name of ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate (CID 59889206) is ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate.

What is the SMILES notation for ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate?

The canonical SMILES for ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(C2CC2)c2c(OC)c(-c3cc4c(s3)S(=O)(=O)N(C)CC4O[Si](C)(C)C(C)(C)C)ccc2c1=O.

What is the InChIKey of ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate?

The InChIKey is SUHQGBKPECTRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O7S2Si/c1-9-37-27(33)21-15-31(17-10-11-17)24-19(25(21)32)13-12-18(26(24)36-6)23-14-20-22(38-41(7,8)29(2,3)4)16-30(5)40(34,35)28(20)39-23/h12-15,17,22H,9-11,16H2,1-8H3.

What are the key properties of ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate?

ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate has a molecular weight of 618.85 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-[4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 59889206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).