2-butyl-3-[(2-chlorophenyl)methyl]-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]-2H-imidazole-1-carboxylate

Systemtic Name: 2-butyl-3-[(2-chlorophenyl)methyl]-5-[(E)-3-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]-2H-imidazole-1-carboxylate Openeye Name: 2-butyl-3-[(2-chlorophenyl)methyl]-5-[(E)-3-hydroxy-3-oxo-2-(2-thienylmethyl)prop-1-enyl]-2H-imidazole-1-carboxylate CAS Name: 2-butyl-3-[(2-chlorophenyl)methyl]-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-2H-imidazole-1-carboxylate IUPAC Name: 2-butyl-3-[(2-chlorophenyl)methyl]-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-2H-imidazole-1-carboxylate Traditional Name: 2-butyl-3-(2-chlorobenzyl)-5-[(E)-3-hydroxy-3-keto-2-(2-thenyl)prop-1-enyl]-4-imidazoline-1-carboxylate Formula: C23H24ClN2O4S- MolecularWeight: 459.96566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1C(=O)[O-])C=C(CC2=CC=CS2)C(=O)O)CC3=CC=CC=C3Cl

Isomeric SMILES

CCCCC1N(C=C(N1C(=O)[O-])/C=C(\CC2=CC=CS2)/C(=O)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C23H25ClN2O4S/c1-2-3-10-21-25(14-16-7-4-5-9-20(16)24)15-18(26(21)23(29)30)12-17(22(27)28)13-19-8-6-11-31-19/h4-9,11-12,15,21H,2-3,10,13-14H2,1H3,(H,27,28)(H,29,30)/p-1/b17-12+