[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C1=CSC(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

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