2-[[3-ethanoylsulfanyl-4-oxidanylidene-4-(4-phenylphenyl)butanoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-oxidanylidene-4-(4-phenylphenyl)butanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-oxo-4-(4-phenylphenyl)butanoyl]-methyl-amino]acetic acid CAS Name: 2-[[3-(acetylthio)-1,4-dioxo-4-(4-phenylphenyl)butyl]-methylamino]acetic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-oxo-4-(4-phenylphenyl)butanoyl]-methylamino]acetic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(4-phenylphenyl)butanoyl]-methyl-amino]acetic acid Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N(C)CC(=O)O)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)SC(CC(=O)N(C)CC(=O)O)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H21NO5S/c1-14(23)28-18(12-19(24)22(2)13-20(25)26)21(27)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18H,12-13H2,1-2H3,(H,25,26)