methyl 5-(2,4-dichlorophenyl)-4-(1H-imidazol-2-yl)-5-oxidanylidene-2-phenylsulfanyl-pentanoate

Systemtic Name: methyl 5-(2,4-dichlorophenyl)-4-(1H-imidazol-2-yl)-5-oxidanylidene-2-phenylsulfanyl-pentanoate Openeye Name: methyl 5-(2,4-dichlorophenyl)-4-(1H-imidazol-2-yl)-5-oxo-2-phenylsulfanyl-pentanoate CAS Name: 5-(2,4-dichlorophenyl)-4-(1H-imidazol-2-yl)-5-oxo-2-(phenylthio)pentanoic acid methyl ester IUPAC Name: methyl 5-(2,4-dichlorophenyl)-4-(1H-imidazol-2-yl)-5-oxo-2-phenylsulfanylpentanoate Traditional Name: 5-(2,4-dichlorophenyl)-4-(1H-imidazol-2-yl)-5-keto-2-(phenylthio)valeric acid methyl ester Formula: C21H18Cl2N2O3S MolecularWeight: 449.35022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(C1=NC=CN1)C(=O)C2=C(C=C(C=C2)Cl)Cl)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC(C1=NC=CN1)C(=O)C2=C(C=C(C=C2)Cl)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C21H18Cl2N2O3S/c1-28-21(27)18(29-14-5-3-2-4-6-14)12-16(20-24-9-10-25-20)19(26)15-8-7-13(22)11-17(15)23/h2-11,16,18H,12H2,1H3,(H,24,25)