methyl 6-oxidanylidene-1-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-oxidanylidene-1-[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl]pyridine-3-carboxylate Openeye Name: methyl 6-oxo-1-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]pyridine-3-carboxylate CAS Name: 6-oxo-1-[2-oxo-2-[2-(phenylthio)ethylamino]ethyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-oxo-1-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]pyridine-3-carboxylate Traditional Name: 6-keto-1-[2-keto-2-[2-(phenylthio)ethylamino]ethyl]nicotinic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C=C1)CC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CN(C(=O)C=C1)CC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O4S/c1-23-17(22)13-7-8-16(21)19(11-13)12-15(20)18-9-10-24-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,18,20)