2,6-dimethyl-3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid

Systemtic Name: 2,6-dimethyl-3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]-2,6-dimethyl-benzoic acid CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-2,6-dimethylbenzoic acid IUPAC Name: 3-[(2-benzyl-3-sulfanylpropanoyl)amino]-2,6-dimethylbenzoic acid Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]-2,6-dimethyl-benzoic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)NC(=O)C(CC2=CC=CC=C2)CS)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)NC(=O)C(CC2=CC=CC=C2)CS)C)C(=O)O

InChI

InChI=1S/C19H21NO3S/c1-12-8-9-16(13(2)17(12)19(22)23)20-18(21)15(11-24)10-14-6-4-3-5-7-14/h3-9,15,24H,10-11H2,1-2H3,(H,20,21)(H,22,23)