4-[(E)-2-(1H-imidazol-5-yl)-4-oxidanyl-4-oxidanylidene-3-(thiophen-2-ylmethyl)but-2-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(1H-imidazol-5-yl)-4-oxidanyl-4-oxidanylidene-3-(thiophen-2-ylmethyl)but-2-enyl]benzoic acid Openeye Name: 4-[(E)-4-hydroxy-2-(1H-imidazol-5-yl)-4-oxo-3-(2-thienylmethyl)but-2-enyl]benzoic acid CAS Name: 4-[(E)-4-hydroxy-2-(1H-imidazol-5-yl)-4-oxo-3-(thiophen-2-ylmethyl)but-2-enyl]benzoic acid IUPAC Name: 4-[(E)-4-hydroxy-2-(1H-imidazol-5-yl)-4-oxo-3-(thiophen-2-ylmethyl)but-2-enyl]benzoic acid Traditional Name: 4-[(E)-4-hydroxy-2-(1H-imidazol-5-yl)-4-keto-3-(2-thenyl)but-2-enyl]benzoic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(=C(CC2=CC=C(C=C2)C(=O)O)C3=CN=CN3)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C/C(=C(/CC2=CC=C(C=C2)C(=O)O)\C3=CN=CN3)/C(=O)O

InChI

InChI=1S/C19H16N2O4S/c22-18(23)13-5-3-12(4-6-13)8-15(17-10-20-11-21-17)16(19(24)25)9-14-2-1-7-26-14/h1-7,10-11H,8-9H2,(H,20,21)(H,22,23)(H,24,25)/b16-15+