[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=C(N=CC=C1)SCC2=NOC(=C2)C

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=C(N=CC=C1)SCC2=NOC(=C2)C

InChI

InChI=1S/C16H19N3O4S/c1-4-17-14(20)11(3)22-16(21)13-6-5-7-18-15(13)24-9-12-8-10(2)23-19-12/h5-8,11H,4,9H2,1-3H3,(H,17,20)/t11-/m0/s1