methyl 4-[[2-imidazol-1-yl-1-[(4-methoxycarbonylphenyl)methylsulfanyl]ethyl]sulfanylmethyl]benzoate hydrochloride

Systemtic Name: methyl 4-[[2-imidazol-1-yl-1-[(4-methoxycarbonylphenyl)methylsulfanyl]ethyl]sulfanylmethyl]benzoate hydrochloride Openeye Name: methyl 4-[[2-imidazol-1-yl-1-[(4-methoxycarbonylphenyl)methylsulfanyl]ethyl]sulfanylmethyl]benzoate hydrochloride CAS Name: 4-[[[2-(1-imidazolyl)-1-[(4-methoxycarbonylphenyl)methylthio]ethyl]thio]methyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[2-imidazol-1-yl-1-[(4-methoxycarbonylphenyl)methylsulfanyl]ethyl]sulfanylmethyl]benzoate hydrochloride Traditional Name: 4-[[[1-[(4-carbomethoxybenzyl)thio]-2-imidazol-1-yl-ethyl]thio]methyl]benzoic acid methyl ester hydrochloride Formula: C23H25ClN2O4S2 MolecularWeight: 493.0386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC(CN2C=CN=C2)SCC3=CC=C(C=C3)C(=O)OC.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC(CN2C=CN=C2)SCC3=CC=C(C=C3)C(=O)OC.Cl

InChI

InChI=1S/C23H24N2O4S2.ClH/c1-28-22(26)19-7-3-17(4-8-19)14-30-21(13-25-12-11-24-16-25)31-15-18-5-9-20(10-6-18)23(27)29-2;/h3-12,16,21H,13-15H2,1-2H3;1H