[4-[(Z)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-chloranylbenzoate

Systemtic Name: [4-[(Z)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-chloranylbenzoate Openeye Name: [4-[(Z)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(Z)-2-cyano-3-[(3-cyano-2-thiophenyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(Z)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H14ClN3O4S MolecularWeight: 463.89296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C#N)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2=C(C=CS2)C#N)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H14ClN3O4S/c1-30-20-11-14(2-7-19(20)31-23(29)15-3-5-18(24)6-4-15)10-17(13-26)21(28)27-22-16(12-25)8-9-32-22/h2-11H,1H3,(H,27,28)/b17-10-