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

Systemtic Name: [3-[(Z)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 3-methylbenzoate Openeye Name: [3-[(Z)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [3-[(Z)-2-cyano-3-[(3-cyano-2-thiophenyl)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(Z)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [3-[(Z)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-keto-prop-1-enyl]phenyl] ester Formula: C23H15N3O3S MolecularWeight: 413.4485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15N3O3S/c1-15-4-2-6-17(10-15)23(28)29-20-7-3-5-16(12-20)11-19(14-25)21(27)26-22-18(13-24)8-9-30-22/h2-12H,1H3,(H,26,27)/b19-11-