3-benzamido-3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butanoic acid

Systemtic Name: 3-benzamido-3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butanoic acid Openeye Name: 3-benzamido-3-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butanoic acid CAS Name: 3-benzamido-3-[(4-methoxyphenyl)methylthio]-4-phenylbutanoic acid IUPAC Name: 3-benzamido-3-[(4-methoxyphenyl)methylsulfanyl]-4-phenylbutanoic acid Traditional Name: 3-benzamido-3-(p-anisylthio)-4-phenyl-butyric acid Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(CC2=CC=CC=C2)(CC(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CSC(CC2=CC=CC=C2)(CC(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H25NO4S/c1-30-22-14-12-20(13-15-22)18-31-25(17-23(27)28,16-19-8-4-2-5-9-19)26-24(29)21-10-6-3-7-11-21/h2-15H,16-18H2,1H3,(H,26,29)(H,27,28)