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

Systemtic Name: methyl 4-[[2-(1-cyano-2-oxidanylidene-2-pyrrolidin-1-yl-ethylidene)-4-oxidanylidene-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[[2-(1-cyano-2-oxo-2-pyrrolidin-1-yl-ethylidene)-4-oxo-3-phenyl-thiazolidin-5-ylidene]methyl]benzoate CAS Name: 4-[[2-[1-cyano-2-oxo-2-(1-pyrrolidinyl)ethylidene]-4-oxo-3-phenyl-5-thiazolidinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-cyano-2-oxo-2-pyrrolidin-1-ylethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate Traditional Name: 4-[[2-(1-cyano-2-keto-2-pyrrolidino-ethylidene)-4-keto-3-phenyl-thiazolidin-5-ylidene]methyl]benzoic acid methyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=C(C#N)C(=O)N3CCCC3)S2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=C(C#N)C(=O)N3CCCC3)S2)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4S/c1-32-25(31)18-11-9-17(10-12-18)15-21-23(30)28(19-7-3-2-4-8-19)24(33-21)20(16-26)22(29)27-13-5-6-14-27/h2-4,7-12,15H,5-6,13-14H2,1H3