[1-imidazol-1-yl-4-(4-methylthiophen-2-yl)butan-2-yl] methanesulfonate

Systemtic Name: [1-imidazol-1-yl-4-(4-methylthiophen-2-yl)butan-2-yl] methanesulfonate Openeye Name: [1-(imidazol-1-ylmethyl)-3-(4-methyl-2-thienyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [1-(1-imidazolyl)-4-(4-methyl-2-thiophenyl)butan-2-yl] ester IUPAC Name: [1-imidazol-1-yl-4-(4-methylthiophen-2-yl)butan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-(imidazol-1-ylmethyl)-3-(4-methyl-2-thienyl)propyl] ester Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)CCC(CN2C=CN=C2)OS(=O)(=O)C

Isomeric SMILES

CC1=CSC(=C1)CCC(CN2C=CN=C2)OS(=O)(=O)C

InChI

InChI=1S/C13H18N2O3S2/c1-11-7-13(19-9-11)4-3-12(18-20(2,16)17)8-15-6-5-14-10-15/h5-7,9-10,12H,3-4,8H2,1-2H3