[2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-oxo-2-[[1-oxo-3-(phenylthio)propyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropanoylamino)ethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-keto-2-[3-(phenylthio)propanoylamino]ethyl] ester Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC(=O)COC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C17H15ClN2O4S/c18-16-13(7-4-9-19-16)17(23)24-11-15(22)20-14(21)8-10-25-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H,20,21,22)