ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C25H32N2O7S — CID 6598282

About ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 6598282) has the molecular formula C25H32N2O7S and a molecular weight of 504.61 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 6598282
• Molecular Formula: C25H32N2O7S
• Molecular Weight: 504.61 g/mol
• Exact Mass: 504.19
• IUPAC Name: ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• SMILES: CCOC(=O)/C=c1\s/c(=C\c2ccc(OCC)c(OC)c2)c(=O)n1CC(=O)N1C[C@@H](C)O[C@@H](C)C1
• InChI: InChI=1S/C25H32N2O7S/c1-6-32-19-9-8-18(10-20(19)31-5)11-21-25(30)27(23(35-21)12-24(29)33-7-2)15-22(28)26-13-16(3)34-17(4)14-26/h8-12,16-17H,6-7,13-15H2,1-5H3/b21-11-,23-12-/t16-,17+
• InChIKey: YGKNMQCWVJOQAC-MKULHCLYSA-N
• XLogP: 1.13
• TPSA: 96.30 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.61
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The IUPAC name of ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 6598282) is ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

What is the SMILES notation for ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCOC(=O)/C=c1\s/c(=C\c2ccc(OCC)c(OC)c2)c(=O)n1CC(=O)N1C[C@@H](C)O[C@@H](C)C1.

What is the InChIKey of ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The InChIKey is YGKNMQCWVJOQAC-MKULHCLYSA-N. The full InChI is InChI=1S/C25H32N2O7S/c1-6-32-19-9-8-18(10-20(19)31-5)11-21-25(30)27(23(35-21)12-24(29)33-7-2)15-22(28)26-13-16(3)34-17(4)14-26/h8-12,16-17H,6-7,13-15H2,1-5H3/b21-11-,23-12-/t16-,17+.

What are the key properties of ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 504.61 g/mol, XLogP of 1.13, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z)-2-[(5Z)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 6598282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).