3-azanyl-2-methyl-4-[2-[(4-methylphenyl)methyl]-3-sulfanyl-propanoyl]benzoic acid

Systemtic Name: 3-azanyl-2-methyl-4-[2-[(4-methylphenyl)methyl]-3-sulfanyl-propanoyl]benzoic acid Openeye Name: 3-amino-2-methyl-4-[2-(p-tolylmethyl)-3-sulfanyl-propanoyl]benzoic acid CAS Name: 3-amino-4-[2-(mercaptomethyl)-3-(4-methylphenyl)-1-oxopropyl]-2-methylbenzoic acid IUPAC Name: 3-amino-2-methyl-4-[2-[(4-methylphenyl)methyl]-3-sulfanylpropanoyl]benzoic acid Traditional Name: 3-amino-4-[2-(mercaptomethyl)-3-(p-tolyl)propanoyl]-2-methyl-benzoic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CS)C(=O)C2=C(C(=C(C=C2)C(=O)O)C)N

Isomeric SMILES

CC1=CC=C(C=C1)CC(CS)C(=O)C2=C(C(=C(C=C2)C(=O)O)C)N

InChI

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