[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate

Systemtic Name: [(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isothiazole-4-carboxylic acid [(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C14H14ClN3O3S MolecularWeight: 339.79726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OC(C)C(=O)NC2=CC(=CC=C2)Cl)N

Isomeric SMILES

CC1=NSC(=C1C(=O)O[C@H](C)C(=O)NC2=CC(=CC=C2)Cl)N

InChI

InChI=1S/C14H14ClN3O3S/c1-7-11(12(16)22-18-7)14(20)21-8(2)13(19)17-10-5-3-4-9(15)6-10/h3-6,8H,16H2,1-2H3,(H,17,19)/t8-/m1/s1