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

Systemtic Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic 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] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C25H19N3O4S MolecularWeight: 457.50106

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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(=CC=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C#N)OC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C25H19N3O4S/c1-3-31-22-13-17(7-8-21(22)32-25(30)18-6-4-5-16(2)11-18)12-20(15-27)23(29)28-24-19(14-26)9-10-33-24/h4-13H,3H2,1-2H3,(H,28,29)/b20-12+