2-[1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C(=O)NC1=C(N=CC=C1)Cl)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H13ClN2O3S/c1-9(14(19)18-11-6-4-8-17-13(11)16)22-12-7-3-2-5-10(12)15(20)21/h2-9H,1H3,(H,18,19)(H,20,21)