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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C17H17ClN2O3S/c18-16-14(8-4-9-20-16)17(22)23-12-15(21)19-10-5-11-24-13-6-2-1-3-7-13/h1-4,6-9H,5,10-12H2,(H,19,21)