3-methyl-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]-3-sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]-3-sulfanyl-butanoic acid Openeye Name: 2-[(3-hydroxy-4-methyl-benzoyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[[(3-hydroxy-4-methylphenyl)-oxomethyl]amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(3-hydroxy-4-methylbenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(3-hydroxy-4-methyl-benzoyl)amino]-3-mercapto-3-methyl-butyric acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(C(=O)O)C(C)(C)S)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(C(=O)O)C(C)(C)S)O

InChI

InChI=1S/C13H17NO4S/c1-7-4-5-8(6-9(7)15)11(16)14-10(12(17)18)13(2,3)19/h4-6,10,15,19H,1-3H3,(H,14,16)(H,17,18)