ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

C33H24ClN3O6S — CID 18869021

About ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 18869021) has the molecular formula C33H24ClN3O6S and a molecular weight of 626.09 g/mol. Its IUPAC name is ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
• PubChem CID: 18869021
• Molecular Formula: C33H24ClN3O6S
• Molecular Weight: 626.09 g/mol
• Exact Mass: 625.11
• IUPAC Name: ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
• SMILES: CCOC(=O)c1sc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C23C(=O)N(Cc2ccccc2Cl)c2ccccc23)nc1C
• InChI: InChI=1S/C33H24ClN3O6S/c1-4-42-30(40)28-18(3)35-32(44-28)37-29(39)27-25(26(38)20-15-17(2)13-14-24(20)43-27)33(37)21-10-6-8-12-23(21)36(31(33)41)16-19-9-5-7-11-22(19)34/h5-15H,4,16H2,1-3H3
• InChIKey: WRENBYJJUSCTRF-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 110.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.09
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The IUPAC name of ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 18869021) is ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The canonical SMILES for ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C23C(=O)N(Cc2ccccc2Cl)c2ccccc23)nc1C.

What is the InChIKey of ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The InChIKey is WRENBYJJUSCTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24ClN3O6S/c1-4-42-30(40)28-18(3)35-32(44-28)37-29(39)27-25(26(38)20-15-17(2)13-14-24(20)43-27)33(37)21-10-6-8-12-23(21)36(31(33)41)16-19-9-5-7-11-22(19)34/h5-15H,4,16H2,1-3H3.

What are the key properties of ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?

ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 626.09 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[1'-[(2-chlorophenyl)methyl]-7-methyl-2',3,9-trioxospiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18869021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).