methyl 4-[[2-(1-cyano-2-oxidanylidene-2-pyrrolidin-1-yl-ethylidene)-3-(4-ethoxyphenyl)-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1-cyano-2-oxidanylidene-2-pyrrolidin-1-yl-ethylidene)-3-(4-ethoxyphenyl)-4-oxidanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[[2-(1-cyano-2-oxo-2-pyrrolidin-1-yl-ethylidene)-3-(4-ethoxyphenyl)-4-oxo-thiazolidin-5-ylidene]methyl]benzoate CAS Name: 4-[[2-[1-cyano-2-oxo-2-(1-pyrrolidinyl)ethylidene]-3-(4-ethoxyphenyl)-4-oxo-5-thiazolidinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate Traditional Name: 4-[[2-(1-cyano-2-keto-2-pyrrolidino-ethylidene)-4-keto-3-p-phenetyl-thiazolidin-5-ylidene]methyl]benzoic acid methyl ester Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)SC2=C(C#N)C(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)SC2=C(C#N)C(=O)N4CCCC4

InChI

InChI=1S/C27H25N3O5S/c1-3-35-21-12-10-20(11-13-21)30-25(32)23(16-18-6-8-19(9-7-18)27(33)34-2)36-26(30)22(17-28)24(31)29-14-4-5-15-29/h6-13,16H,3-5,14-15H2,1-2H3