ethyl 4-[2-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-oxidanyl-propyl]sulfanylbutanoate

Systemtic Name: ethyl 4-[2-(2,4-dichlorophenyl)-3-imidazol-1-yl-2-oxidanyl-propyl]sulfanylbutanoate Openeye Name: ethyl 4-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-yl-propyl]sulfanylbutanoate CAS Name: 4-[[2-(2,4-dichlorophenyl)-2-hydroxy-3-(1-imidazolyl)propyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-ylpropyl]sulfanylbutanoate Traditional Name: 4-[[2-(2,4-dichlorophenyl)-2-hydroxy-3-imidazol-1-yl-propyl]thio]butyric acid ethyl ester Formula: C18H22Cl2N2O3S MolecularWeight: 417.34988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O

Isomeric SMILES

CCOC(=O)CCCSCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C18H22Cl2N2O3S/c1-2-25-17(23)4-3-9-26-12-18(24,11-22-8-7-21-13-22)15-6-5-14(19)10-16(15)20/h5-8,10,13,24H,2-4,9,11-12H2,1H3