2-[[4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[[4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(Z)-2-(4-fluorophenyl)-3-(1-imidazolyl)prop-1-enyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[[4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyrate Formula: C30H27FN3O3S- MolecularWeight: 528.617083

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)C=C(CN2C=CN=C2)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)/C=C(\CN2C=CN=C2)/C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C30H28FN3O3S/c1-38-16-13-28(30(36)37)33-29(35)26-12-7-21(18-27(26)23-5-3-2-4-6-23)17-24(19-34-15-14-32-20-34)22-8-10-25(31)11-9-22/h2-12,14-15,17-18,20,28H,13,16,19H2,1H3,(H,33,35)(H,36,37)/p-1/b24-17+