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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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