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

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-phenylazanylbenzoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 2-anilinobenzoate CAS Name: 2-anilinobenzoic 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-anilinobenzoate Traditional Name: 2-anilinobenzoic acid [2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)COC(=O)C2=CC=CC=C2NC3=CC=CC=C3)C

InChI

InChI=1S/C22H19N3O3S/c1-14-15(2)29-21(18(14)12-23)25-20(26)13-28-22(27)17-10-6-7-11-19(17)24-16-8-4-3-5-9-16/h3-11,24H,13H2,1-2H3,(H,25,26)