2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-phenyl-2-(p-tolylmethylsulfanylcarbonylamino)propanoic acid CAS Name: 2-[[[(4-methylphenyl)methylthio]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[(4-methylbenzyl)thio]carbonylamino]-3-phenyl-propionic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-13-7-9-15(10-8-13)12-23-18(22)19-16(17(20)21)11-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,19,22)(H,20,21)