2-[(3,5-dimethyl-4-sulfanyl-phenyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3,5-dimethyl-4-sulfanyl-phenyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-(3,5-dimethyl-4-sulfanyl-anilino)-3-phenyl-propanoic acid CAS Name: 2-(4-mercapto-3,5-dimethylanilino)-3-phenylpropanoic acid IUPAC Name: 2-(3,5-dimethyl-4-sulfanylanilino)-3-phenylpropanoic acid Traditional Name: 2-(4-mercapto-3,5-dimethyl-anilino)-3-phenyl-propionic acid Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S)C)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S)C)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H19NO2S/c1-11-8-14(9-12(2)16(11)21)18-15(17(19)20)10-13-6-4-3-5-7-13/h3-9,15,18,21H,10H2,1-2H3,(H,19,20)