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

Systemtic Name: [1-[(2-chloranylpyridin-3-yl)amino]-1-oxidanylidene-propan-2-yl] 2-ethylsulfinylbenzoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-1-methyl-2-oxo-ethyl] 2-ethylsulfinylbenzoate CAS Name: 2-ethylsulfinylbenzoic acid [1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 2-ethylsulfinylbenzoate Traditional Name: 2-ethylsulfinylbenzoic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CCS(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C17H17ClN2O4S/c1-3-25(23)14-9-5-4-7-12(14)17(22)24-11(2)16(21)20-13-8-6-10-19-15(13)18/h4-11H,3H2,1-2H3,(H,20,21)