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

Systemtic Name: 2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(3-hydroxy-4-methyl-benzoyl)amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(3-hydroxy-4-methylphenyl)-oxomethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[(3-hydroxy-4-methylbenzoyl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(3-hydroxy-4-methyl-benzoyl)amino]-3-mercapto-propionic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S/c1-6-2-3-7(4-9(6)13)10(14)12-8(5-17)11(15)16/h2-4,8,13,17H,5H2,1H3,(H,12,14)(H,15,16)