[(2S)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylbenzoate

Systemtic Name: [(2S)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-methylsulfanylbenzoate Openeye Name: [(1S)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [(1S)-2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC=CC=C2SC

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C16H15ClN2O3S/c1-10(15(20)19-14-8-7-11(17)9-18-14)22-16(21)12-5-3-4-6-13(12)23-2/h3-10H,1-2H3,(H,18,19,20)/t10-/m0/s1