[(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [(1S)-2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [(1S)-2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-12(24-18(23)15-6-5-11-19-17(15)25-4)16(22)20-13-7-9-14(10-8-13)21(2)3/h5-12H,1-4H3,(H,20,22)/t12-/m0/s1