2-[[4-[(E)-3-imidazol-1-ylprop-1-enyl]-2-thiophen-3-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(E)-3-imidazol-1-ylprop-1-enyl]-2-thiophen-3-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(E)-3-imidazol-1-ylprop-1-enyl]-2-(3-thienyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(E)-3-(1-imidazolyl)prop-1-enyl]-2-(3-thiophenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(E)-3-imidazol-1-ylprop-1-enyl]-2-thiophen-3-ylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(E)-3-imidazol-1-ylprop-1-enyl]-2-(3-thienyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C22H23N3O3S2 MolecularWeight: 441.56632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C=CCN2C=CN=C2)C3=CSC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)/C=C/CN2C=CN=C2)C3=CSC=C3

InChI

InChI=1S/C22H23N3O3S2/c1-29-11-7-20(22(27)28)24-21(26)18-5-4-16(3-2-9-25-10-8-23-15-25)13-19(18)17-6-12-30-14-17/h2-6,8,10,12-15,20H,7,9,11H2,1H3,(H,24,26)(H,27,28)/b3-2+