3-ethylsulfonyloxy-2-(1-methylsulfanylpropan-2-ylcarbamoyl)benzoic acid

Systemtic Name: 3-ethylsulfonyloxy-2-(1-methylsulfanylpropan-2-ylcarbamoyl)benzoic acid Openeye Name: 3-ethylsulfonyloxy-2-[(1-methyl-2-methylsulfanyl-ethyl)carbamoyl]benzoic acid CAS Name: 3-ethylsulfonyloxy-2-[[1-(methylthio)propan-2-ylamino]-oxomethyl]benzoic acid IUPAC Name: 3-ethylsulfonyloxy-2-(1-methylsulfanylpropan-2-ylcarbamoyl)benzoic acid Traditional Name: 3-esyloxy-2-[[1-methyl-2-(methylthio)ethyl]carbamoyl]benzoic acid Formula: C14H19NO6S2 MolecularWeight: 361.43376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6S2/c1-4-23(19,20)21-11-7-5-6-10(14(17)18)12(11)13(16)15-9(2)8-22-3/h5-7,9H,4,8H2,1-3H3,(H,15,16)(H,17,18)