5-(4-chlorophenyl)-4-(1-methylimidazol-2-yl)sulfanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-chlorophenyl)-4-(1-methylimidazol-2-yl)sulfanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-chlorophenyl)-4-(1-methylimidazol-2-yl)sulfanyl-5-oxo-pentanoic acid CAS Name: 5-(4-chlorophenyl)-4-[(1-methyl-2-imidazolyl)thio]-5-oxopentanoic acid IUPAC Name: 5-(4-chlorophenyl)-4-(1-methylimidazol-2-yl)sulfanyl-5-oxopentanoic acid Traditional Name: 5-(4-chlorophenyl)-5-keto-4-[(1-methylimidazol-2-yl)thio]valeric acid Formula: C15H15ClN2O3S MolecularWeight: 338.8092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O3S/c1-18-9-8-17-15(18)22-12(6-7-13(19)20)14(21)10-2-4-11(16)5-3-10/h2-5,8-9,12H,6-7H2,1H3,(H,19,20)