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

Systemtic Name: 4-ethylsulfanyl-2-[[3-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]phenyl]carbonylamino]butanoate Openeye Name: 4-ethylsulfanyl-2-[[3-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]benzoyl]amino]butanoate CAS Name: 4-(ethylthio)-2-[[[3-[(Z)-2-(4-fluorophenyl)-3-(1-imidazolyl)prop-1-enyl]phenyl]-oxomethyl]amino]butanoate IUPAC Name: 4-ethylsulfanyl-2-[[3-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-ylprop-1-enyl]benzoyl]amino]butanoate Traditional Name: 4-(ethylthio)-2-[[3-[(Z)-2-(4-fluorophenyl)-3-imidazol-1-yl-prop-1-enyl]benzoyl]amino]butyrate Formula: C25H25FN3O3S- MolecularWeight: 466.547703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FN3O3S/c1-2-33-13-10-23(25(31)32)28-24(30)20-5-3-4-18(14-20)15-21(16-29-12-11-27-17-29)19-6-8-22(26)9-7-19/h3-9,11-12,14-15,17,23H,2,10,13,16H2,1H3,(H,28,30)(H,31,32)/p-1/b21-15+