(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H17NO4S/c1-25-21(24)18(15-9-4-2-5-10-15)26-20(23)17-13-8-14-22-19(17)27-16-11-6-3-7-12-16/h2-14,18H,1H3