4-[[5-[(E)-3-azanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-[(E)-3-azanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-[(E)-3-amino-3-oxo-2-(2-thienylmethyl)prop-1-enyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-[(E)-3-amino-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-2-butyl-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-[(E)-3-amino-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-2-butylimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-[(E)-3-amino-3-keto-2-(2-thenyl)prop-1-enyl]-2-butyl-imidazol-1-yl]methyl]benzoic acid Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)N

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)N

InChI

InChI=1S/C23H25N3O3S/c1-2-3-6-21-25-14-19(12-18(22(24)27)13-20-5-4-11-30-20)26(21)15-16-7-9-17(10-8-16)23(28)29/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H2,24,27)(H,28,29)/b18-12+