methyl 2-[[7-acetamido-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[7-acetamido-1-[(4-fluorophenyl)methyl]benzimidazol-5-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[7-acetamido-1-[(4-fluorophenyl)methyl]benzimidazole-5-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[7-acetamido-1-[(4-fluorophenyl)methyl]-5-benzimidazolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[7-acetamido-1-[(4-fluorophenyl)methyl]benzimidazole-5-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[7-acetamido-1-(4-fluorobenzyl)benzimidazole-5-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C23H25FN4O4S MolecularWeight: 472.532403

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC2=C1N(C=N2)CC3=CC=C(C=C3)F)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC2=C1N(C=N2)CC3=CC=C(C=C3)F)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C23H25FN4O4S/c1-14(29)26-20-11-16(22(30)27-18(8-9-33-3)23(31)32-2)10-19-21(20)28(13-25-19)12-15-4-6-17(24)7-5-15/h4-7,10-11,13,18H,8-9,12H2,1-3H3,(H,26,29)(H,27,30)