[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamidobenzoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamidobenzoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 2-benzamidobenzoate CAS Name: 2-benzamidobenzoic acid [2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 2-benzamidobenzoate Traditional Name: 2-benzamidobenzoic acid [2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H19N3O4S/c1-14-15(2)31-22(18(14)12-24)26-20(27)13-30-23(29)17-10-6-7-11-19(17)25-21(28)16-8-4-3-5-9-16/h3-11H,13H2,1-2H3,(H,25,28)(H,26,27)