(1-imidazol-1-yl-4-thiophen-3-yl-butan-2-yl) methanesulfonate

Systemtic Name: (1-imidazol-1-yl-4-thiophen-3-yl-butan-2-yl) methanesulfonate Openeye Name: [1-(imidazol-1-ylmethyl)-3-(3-thienyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [1-(1-imidazolyl)-4-(3-thiophenyl)butan-2-yl] ester IUPAC Name: (1-imidazol-1-yl-4-thiophen-3-ylbutan-2-yl) methanesulfonate Traditional Name: methanesulfonic acid [1-(imidazol-1-ylmethyl)-3-(3-thienyl)propyl] ester Formula: C12H16N2O3S2 MolecularWeight: 300.39704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCC1=CSC=C1)CN2C=CN=C2

Isomeric SMILES

CS(=O)(=O)OC(CCC1=CSC=C1)CN2C=CN=C2

InChI

InChI=1S/C12H16N2O3S2/c1-19(15,16)17-12(8-14-6-5-13-10-14)3-2-11-4-7-18-9-11/h4-7,9-10,12H,2-3,8H2,1H3