[4-[(E)-2-cyano-3-oxidanylidene-3-[(4-phenyl-1,3-thiazol-2-yl)amino]prop-1-enyl]phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-[(4-phenyl-1,3-thiazol-2-yl)amino]prop-1-enyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-[(4-phenylthiazol-2-yl)amino]prop-1-enyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-oxo-3-[(4-phenyl-2-thiazolyl)amino]prop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]prop-1-enyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-[(4-phenylthiazol-2-yl)amino]prop-1-enyl]phenyl] ester Formula: C27H19N3O4S MolecularWeight: 481.52246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C27H19N3O4S/c1-33-22-13-9-20(10-14-22)26(32)34-23-11-7-18(8-12-23)15-21(16-28)25(31)30-27-29-24(17-35-27)19-5-3-2-4-6-19/h2-15,17H,1H3,(H,29,30,31)/b21-15+