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

Systemtic Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-chloranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[(E)-2-cyano-3-[(3-cyano-2-thiophenyl)amino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C24H16ClN3O4S MolecularWeight: 477.91954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C24H16ClN3O4S/c1-2-31-21-12-15(3-8-20(21)32-24(30)16-4-6-19(25)7-5-16)11-18(14-27)22(29)28-23-17(13-26)9-10-33-23/h3-12H,2H2,1H3,(H,28,29)/b18-11+