[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-11(2)15(16(23)22-19(20)25)26-18(24)14-5-4-10-21-17(14)27-13-8-6-12(3)7-9-13/h4-11,15H,1-3H3,(H3,20,22,23,25)/t15-/m1/s1