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

Systemtic Name: 2-[[4-[(Z)-3-imidazol-1-yl-2-phenyl-but-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[4-[(Z)-3-imidazol-1-yl-2-phenyl-but-1-enyl]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(Z)-3-(1-imidazolyl)-2-phenylbut-1-enyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[[4-[(Z)-3-imidazol-1-yl-2-phenylbut-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(Z)-3-imidazol-1-yl-2-phenyl-but-1-enyl]benzoyl]amino]-4-(methylthio)butyrate Formula: C25H26N3O3S- MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CC1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)[O-])C2=CC=CC=C2)N3C=CN=C3

Isomeric SMILES

CC(/C(=C\C1=CC=C(C=C1)C(=O)NC(CCSC)C(=O)[O-])/C2=CC=CC=C2)N3C=CN=C3

InChI

InChI=1S/C25H27N3O3S/c1-18(28-14-13-26-17-28)22(20-6-4-3-5-7-20)16-19-8-10-21(11-9-19)24(29)27-23(25(30)31)12-15-32-2/h3-11,13-14,16-18,23H,12,15H2,1-2H3,(H,27,29)(H,30,31)/p-1/b22-16+