[(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [(2R)-1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [(1R)-2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [(1R)-2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H17ClN2O4S MolecularWeight: 392.85658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC=CC=C2SCC(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)C2=CC=CC=C2SCC(=O)C

InChI

InChI=1S/C18H17ClN2O4S/c1-11(22)10-26-15-8-4-3-6-13(15)18(24)25-12(2)17(23)21-14-7-5-9-20-16(14)19/h3-9,12H,10H2,1-2H3,(H,21,23)/t12-/m1/s1