(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-[(4-methylphenyl)carbonylamino]benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-[(4-methylphenyl)carbonylamino]benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-[(4-methylbenzoyl)amino]benzoate CAS Name: 3-[[(4-methylphenyl)-oxomethyl]amino]benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-[(4-methylbenzoyl)amino]benzoate Traditional Name: 3-(p-toluoylamino)benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H17NO4S/c1-14-7-9-15(10-8-14)20(24)22-17-5-2-4-16(12-17)21(25)26-13-18(23)19-6-3-11-27-19/h2-12H,13H2,1H3,(H,22,24)