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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)C=CCN2C=CN=C2)C3=CC=CS3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)/C=C/CN2C=CN=C2)C3=CC=CS3

InChI

InChI=1S/C22H23N3O3S2/c1-29-13-8-19(22(27)28)24-21(26)17-7-6-16(4-2-10-25-11-9-23-15-25)14-18(17)20-5-3-12-30-20/h2-7,9,11-12,14-15,19H,8,10,13H2,1H3,(H,24,26)(H,27,28)/b4-2+