[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-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-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)OC(C)C(=O)NCC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)O[C@H](C)C(=O)NCC=C)C

InChI

InChI=1S/C20H22N2O3S/c1-5-10-21-18(23)15(4)25-20(24)17-7-6-11-22-19(17)26-16-9-8-13(2)14(3)12-16/h5-9,11-12,15H,1,10H2,2-4H3,(H,21,23)/t15-/m1/s1