[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C16H11ClN2O4S MolecularWeight: 362.78754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(S2)Cl)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(S2)Cl)NC(=O)CC#N

InChI

InChI=1S/C16H11ClN2O4S/c17-14-6-5-13(24-14)12(20)9-23-16(22)10-1-3-11(4-2-10)19-15(21)7-8-18/h1-6H,7,9H2,(H,19,21)