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

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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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)NC(=O)NC)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-11-7-8-14(10-12(11)2)27-17-15(6-5-9-21-17)18(24)26-13(3)16(23)22-19(25)20-4/h5-10,13H,1-4H3,(H2,20,22,23,25)/t13-/m1/s1