ethyl 4-[[(2Z)-2-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-4-oxidanylidene-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2Z)-2-[5-[(3-chloranyl-4-methyl-phenyl)methyl]-4-oxidanylidene-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2Z)-2-[5-[(3-chloro-4-methyl-phenyl)methyl]-4-oxo-3-phenyl-thiazolidin-2-ylidene]-2-cyano-acetyl]amino]benzoate CAS Name: 4-[[(2Z)-2-[5-[(3-chloro-4-methylphenyl)methyl]-4-oxo-3-phenyl-2-thiazolidinylidene]-2-cyano-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2Z)-2-[5-[(3-chloro-4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]benzoate Traditional Name: 4-[[(2Z)-2-[5-(3-chloro-4-methyl-benzyl)-4-keto-3-phenyl-thiazolidin-2-ylidene]-2-cyano-acetyl]amino]benzoic acid ethyl ester Formula: C29H24ClN3O4S MolecularWeight: 546.03656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=C2N(C(=O)C(S2)CC3=CC(=C(C=C3)C)Cl)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\2/N(C(=O)C(S2)CC3=CC(=C(C=C3)C)Cl)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C29H24ClN3O4S/c1-3-37-29(36)20-11-13-21(14-12-20)32-26(34)23(17-31)28-33(22-7-5-4-6-8-22)27(35)25(38-28)16-19-10-9-18(2)24(30)15-19/h4-15,25H,3,16H2,1-2H3,(H,32,34)/b28-23-