[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(2-methoxy-1-methyl-ethyl)amino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-[(2-methoxy-1-methyl-ethyl)amino]ethyl] ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(COC)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O4S/c1-13(11-23-2)20-16(21)12-24-18(22)15-9-6-10-19-17(15)25-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,20,21)