[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C17H15N3O3S/c1-11(15(21)20-13-7-5-12(10-18)6-8-13)23-17(22)14-4-3-9-19-16(14)24-2/h3-9,11H,1-2H3,(H,20,21)/t11-/m1/s1