[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [(1R)-2-(allylamino)-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 [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC(C)C(=O)NCC=C

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)O[C@H](C)C(=O)NCC=C

InChI

InChI=1S/C17H19N3O4S/c1-4-7-18-15(21)12(3)23-17(22)14-6-5-8-19-16(14)25-10-13-9-11(2)24-20-13/h4-6,8-9,12H,1,7,10H2,2-3H3,(H,18,21)/t12-/m1/s1