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

Systemtic Name: [3-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 4-methoxybenzoate Openeye Name: [3-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [3-[(E)-2-cyano-3-[(3-cyano-2-thiophenyl)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [3-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-keto-prop-1-enyl]phenyl] ester Formula: C23H15N3O4S MolecularWeight: 429.4479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15N3O4S/c1-29-19-7-5-16(6-8-19)23(28)30-20-4-2-3-15(12-20)11-18(14-25)21(27)26-22-17(13-24)9-10-31-22/h2-12H,1H3,(H,26,27)/b18-11+