4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)sulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)sulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)sulfanyl-4-oxo-butanoic acid CAS Name: 4-(4-chlorophenyl)-3-[(1-methyl-2-imidazolyl)thio]-4-oxobutanoic acid IUPAC Name: 4-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)sulfanyl-4-oxobutanoic acid Traditional Name: 4-(4-chlorophenyl)-4-keto-3-[(1-methylimidazol-2-yl)thio]butyric acid Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC(CC(=O)O)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C=CN=C1SC(CC(=O)O)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN2O3S/c1-17-7-6-16-14(17)21-11(8-12(18)19)13(20)9-2-4-10(15)5-3-9/h2-7,11H,8H2,1H3,(H,18,19)