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

Systemtic Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3-methylbenzoate Openeye Name: [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(E)-2-cyano-3-[(3-cyano-2-thiophenyl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H17N3O4S MolecularWeight: 443.47448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=C(C=CS3)C#N)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=C(C=CS3)C#N)OC

InChI

InChI=1S/C24H17N3O4S/c1-15-4-3-5-17(10-15)24(29)31-20-7-6-16(12-21(20)30-2)11-19(14-26)22(28)27-23-18(13-25)8-9-32-23/h3-12H,1-2H3,(H,27,28)/b19-11+