[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)carbonylbenzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)carbonylbenzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(3,4-dimethylbenzoyl)benzoate CAS Name: 2-[(3,4-dimethylphenyl)-oxomethyl]benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(3,4-dimethylbenzoyl)benzoate Traditional Name: 2-(3,4-dimethylbenzoyl)benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CS3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CS3)C#N)C

InChI

InChI=1S/C23H18N2O4S/c1-14-7-8-16(11-15(14)2)21(27)18-5-3-4-6-19(18)23(28)29-13-20(26)25-22-17(12-24)9-10-30-22/h3-11H,13H2,1-2H3,(H,25,26)