4-[(Z)-1-(2-chlorophenyl)-4-oxidanyl-4-oxidanylidene-3-(thiophen-2-ylmethyl)but-2-en-2-yl]-1H-imidazole-5-carboxylic acid

Systemtic Name: 4-[(Z)-1-(2-chlorophenyl)-4-oxidanyl-4-oxidanylidene-3-(thiophen-2-ylmethyl)but-2-en-2-yl]-1H-imidazole-5-carboxylic acid Openeye Name: 4-[(Z)-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]-1H-imidazole-5-carboxylic acid CAS Name: 4-[(Z)-1-(2-chlorophenyl)-4-hydroxy-4-oxo-3-(thiophen-2-ylmethyl)but-2-en-2-yl]-1H-imidazole-5-carboxylic acid IUPAC Name: 4-[(Z)-1-(2-chlorophenyl)-4-hydroxy-4-oxo-3-(thiophen-2-ylmethyl)but-2-en-2-yl]-1H-imidazole-5-carboxylic acid Traditional Name: 4-[(Z)-1-(2-chlorobenzyl)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]-1H-imidazole-5-carboxylic acid Formula: C19H15ClN2O4S MolecularWeight: 402.8514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=C(CC2=CC=CS2)C(=O)O)C3=C(NC=N3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C/C(=C(\CC2=CC=CS2)/C(=O)O)/C3=C(NC=N3)C(=O)O)Cl

InChI

InChI=1S/C19H15ClN2O4S/c20-15-6-2-1-4-11(15)8-13(16-17(19(25)26)22-10-21-16)14(18(23)24)9-12-5-3-7-27-12/h1-7,10H,8-9H2,(H,21,22)(H,23,24)(H,25,26)/b14-13-