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

Systemtic Name: 2-[(3,4-dimethylphenyl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(3,4-dimethylphenyl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[(3,4-dimethylphenyl)methylamino]-3-mercaptopropanoic acid IUPAC Name: 2-[(3,4-dimethylphenyl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[(3,4-dimethylbenzyl)amino]-3-mercapto-propionic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2S/c1-8-3-4-10(5-9(8)2)6-13-11(7-16)12(14)15/h3-5,11,13,16H,6-7H2,1-2H3,(H,14,15)