3-benzamido-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butanoic acid

Systemtic Name: 3-benzamido-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butanoic acid Openeye Name: 3-benzamido-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenyl-butanoic acid CAS Name: 3-benzamido-2-[(4-methoxyphenyl)methylthio]-4-phenylbutanoic acid IUPAC Name: 3-benzamido-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylbutanoic acid Traditional Name: 3-benzamido-2-(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(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

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