[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H15N3O4S/c18-7-3-8-19-15(21)11-24-17(23)12-4-1-5-13(10-12)20-16(22)14-6-2-9-25-14/h1-2,4-6,9-10H,3,8,11H2,(H,19,21)(H,20,22)