[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-chloranyl-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-chloro-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-2-(2-thenoylamino)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=C(C=CC(=C2)Cl)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H14ClN3O4S/c18-11-4-5-12(17(24)25-10-15(22)20-7-2-6-19)13(9-11)21-16(23)14-3-1-8-26-14/h1,3-5,8-9H,2,7,10H2,(H,20,22)(H,21,23)