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

Systemtic Name: 2-[(2-methyl-1-methylsulfanyl-propan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(1,1-dimethyl-2-methylsulfanyl-ethyl)carbamoyl]benzoic acid CAS Name: 2-[[[2-methyl-1-(methylthio)propan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(2-methyl-1-methylsulfanylpropan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[[1,1-dimethyl-2-(methylthio)ethyl]carbamoyl]benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC)NC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)(CSC)NC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-13(2,8-18-3)14-11(15)9-6-4-5-7-10(9)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)