2-benzamido-3-[(4-methylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-benzamido-3-[(4-methylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-benzamido-3-(p-tolylmethylsulfanyl)propanoic acid CAS Name: 2-benzamido-3-[(4-methylphenyl)methylthio]propanoic acid IUPAC Name: 2-benzamido-3-[(4-methylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-benzamido-3-[(4-methylbenzyl)thio]propionic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C2=CC=CC=C2

InChI

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