2-[(2,4-dimethylphenyl)carbonylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(2,4-dimethylphenyl)carbonylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(2,4-dimethylbenzoyl)amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[(2,4-dimethylphenyl)-oxomethyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[(2,4-dimethylbenzoyl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-[(2,4-dimethylbenzoyl)amino]-3-mercapto-propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-7-3-4-9(8(2)5-7)11(14)13-10(6-17)12(15)16/h3-5,10,17H,6H2,1-2H3,(H,13,14)(H,15,16)