2-[2-[(2-methyl-2-sulfanyl-propyl)carbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[2-[(2-methyl-2-sulfanyl-propyl)carbamoyl]phenyl]benzoic acid Openeye Name: 2-[2-[(2-methyl-2-sulfanyl-propyl)carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[[(2-mercapto-2-methylpropyl)amino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[(2-methyl-2-sulfanylpropyl)carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[(2-mercapto-2-methyl-propyl)carbamoyl]phenyl]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)O)S

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=CC=C1C2=CC=CC=C2C(=O)O)S

InChI

InChI=1S/C18H19NO3S/c1-18(2,23)11-19-16(20)14-9-5-3-7-12(14)13-8-4-6-10-15(13)17(21)22/h3-10,23H,11H2,1-2H3,(H,19,20)(H,21,22)