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

Systemtic Name: [(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 5-azanyl-3-methyl-1,2-thiazole-4-carboxylate Openeye Name: [(1R)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 5-amino-3-methyl-isothiazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isothiazolecarboxylic acid [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(5-chloropyridin-2-yl)amino]-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-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C13H13ClN4O3S MolecularWeight: 340.78532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN4O3S/c1-6-10(11(15)22-18-6)13(20)21-7(2)12(19)17-9-4-3-8(14)5-16-9/h3-5,7H,15H2,1-2H3,(H,16,17,19)/t7-/m1/s1