[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [(1S)-1-(benzylcarbamoyl)propyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [(2S)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2S)-1-(benzylamino)-1-oxobutan-2-yl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [(1S)-1-(benzylcarbamoyl)propyl] ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC[C@@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C18H20N2O3S/c1-3-15(16(21)20-12-13-8-5-4-6-9-13)23-18(22)14-10-7-11-19-17(14)24-2/h4-11,15H,3,12H2,1-2H3,(H,20,21)/t15-/m0/s1