2-[[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbonylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[4-methyl-2-(p-tolyl)thiazole-5-carbonyl]amino]propanoic acid CAS Name: 2-[[[4-methyl-2-(4-methylphenyl)-5-thiazolyl]-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[4-methyl-2-(p-tolyl)thiazole-5-carbonyl]amino]propionic acid Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC(CSCC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC(CSCC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C22H22N2O3S2/c1-14-8-10-17(11-9-14)21-23-15(2)19(29-21)20(25)24-18(22(26)27)13-28-12-16-6-4-3-5-7-16/h3-11,18H,12-13H2,1-2H3,(H,24,25)(H,26,27)