[2-(5-chloranylthiophen-2-yl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate Openeye Name: [2-(5-chloro-2-thienyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-(5-chloro-2-thiophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-(5-chloro-2-thienyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl ester Formula: C13H15ClN2O5S2 MolecularWeight: 378.8516

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1COC(O1)(CN2C=CN=C2)C3=CC=C(S3)Cl

Isomeric SMILES

CS(=O)(=O)OCC1COC(O1)(CN2C=CN=C2)C3=CC=C(S3)Cl

InChI

InChI=1S/C13H15ClN2O5S2/c1-23(17,18)20-7-10-6-19-13(21-10,8-16-5-4-15-9-16)11-2-3-12(14)22-11/h2-5,9-10H,6-8H2,1H3