[2-(imidazol-1-ylmethyl)-3-methyl-4,5-dihydro-1-benzothiophen-6-yl] hydrogen carbonate

Systemtic Name: [2-(imidazol-1-ylmethyl)-3-methyl-4,5-dihydro-1-benzothiophen-6-yl] hydrogen carbonate Openeye Name: [2-(imidazol-1-ylmethyl)-3-methyl-4,5-dihydrobenzothiophen-6-yl] hydrogen carbonate CAS Name: carbonic acid [2-(1-imidazolylmethyl)-3-methyl-4,5-dihydro-1-benzothiophen-6-yl] ester IUPAC Name: [2-(imidazol-1-ylmethyl)-3-methyl-4,5-dihydro-1-benzothiophen-6-yl] hydrogen carbonate Traditional Name: carbonic acid [2-(imidazol-1-ylmethyl)-3-methyl-4,5-dihydrobenzothiophen-6-yl] ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1CCC(=C2)OC(=O)O)CN3C=CN=C3

Isomeric SMILES

CC1=C(SC2=C1CCC(=C2)OC(=O)O)CN3C=CN=C3

InChI

InChI=1S/C14H14N2O3S/c1-9-11-3-2-10(19-14(17)18)6-12(11)20-13(9)7-16-5-4-15-8-16/h4-6,8H,2-3,7H2,1H3,(H,17,18)