(1-methoxy-1-oxidanylidene-propan-2-yl) 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC)OC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C16H15NO4S/c1-11(15(18)20-2)21-16(19)13-9-6-10-17-14(13)22-12-7-4-3-5-8-12/h3-11H,1-2H3