3-ethylsulfonyloxy-2-[(2-methyl-1-methylsulfanyl-propan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 3-ethylsulfonyloxy-2-[(2-methyl-1-methylsulfanyl-propan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(1,1-dimethyl-2-methylsulfanyl-ethyl)carbamoyl]-3-ethylsulfonyloxy-benzoic acid CAS Name: 3-ethylsulfonyloxy-2-[[[2-methyl-1-(methylthio)propan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-ethylsulfonyloxy-2-[(2-methyl-1-methylsulfanylpropan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[[1,1-dimethyl-2-(methylthio)ethyl]carbamoyl]-3-esyloxy-benzoic acid Formula: C15H21NO6S2 MolecularWeight: 375.46034

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1C(=O)NC(C)(C)CSC)C(=O)O

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1C(=O)NC(C)(C)CSC)C(=O)O

InChI

InChI=1S/C15H21NO6S2/c1-5-24(20,21)22-11-8-6-7-10(14(18)19)12(11)13(17)16-15(2,3)9-23-4/h6-8H,5,9H2,1-4H3,(H,16,17)(H,18,19)