[(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [(1S)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl] ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-3-19-18(24)21-15(22)14(12-8-5-4-6-9-12)25-17(23)13-10-7-11-20-16(13)26-2/h4-11,14H,3H2,1-2H3,(H2,19,21,22,24)/t14-/m0/s1