[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)COC(=O)C2=CN=C(C=C2)Cl

InChI

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