2-benzamido-3-(phenylmethylsulfanyl)butanoic acid

Systemtic Name: 2-benzamido-3-(phenylmethylsulfanyl)butanoic acid Openeye Name: 2-benzamido-3-benzylsulfanyl-butanoic acid CAS Name: 2-benzamido-3-(phenylmethylthio)butanoic acid IUPAC Name: 2-benzamido-3-benzylsulfanylbutanoic acid Traditional Name: 2-benzamido-3-(benzylthio)butyric acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CC=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1=CC=CC=C1)SCC2=CC=CC=C2

InChI

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