[2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl] hydrogen carbonate

Systemtic Name: [2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl] hydrogen carbonate Openeye Name: [2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-5-yl] hydrogen carbonate CAS Name: carbonic acid [2-(1-imidazolylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl] ester IUPAC Name: [2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl] hydrogen carbonate Traditional Name: carbonic acid [2-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-5-yl] ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1OC(=O)O)C=C(S2)CN3C=CN=C3

Isomeric SMILES

C1CC2=C(CC1OC(=O)O)C=C(S2)CN3C=CN=C3

InChI

InChI=1S/C13H14N2O3S/c16-13(17)18-10-1-2-12-9(5-10)6-11(19-12)7-15-4-3-14-8-15/h3-4,6,8,10H,1-2,5,7H2,(H,16,17)