ethyl 4-[[(2Z)-2-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-4-oxidanylidene-3-phenyl-1,3-thiazolidin-5-yl]methyl]benzoate

Systemtic Name: ethyl 4-[[(2Z)-2-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-4-oxidanylidene-3-phenyl-1,3-thiazolidin-5-yl]methyl]benzoate Openeye Name: ethyl 4-[[(2Z)-2-(2-amino-1-cyano-2-oxo-ethylidene)-4-oxo-3-phenyl-thiazolidin-5-yl]methyl]benzoate CAS Name: 4-[[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-5-thiazolidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2Z)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]methyl]benzoate Traditional Name: 4-[[(2Z)-2-(2-amino-1-cyano-2-keto-ethylidene)-4-keto-3-phenyl-thiazolidin-5-yl]methyl]benzoic acid ethyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N(C(=C(C#N)C(=O)N)S2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N(/C(=C(\C#N)/C(=O)N)/S2)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4S/c1-2-29-22(28)15-10-8-14(9-11-15)12-18-20(27)25(16-6-4-3-5-7-16)21(30-18)17(13-23)19(24)26/h3-11,18H,2,12H2,1H3,(H2,24,26)/b21-17-