[2-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] hydrogen carbonate

Systemtic Name: [2-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] hydrogen carbonate Openeye Name: [2-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophen-6-yl] hydrogen carbonate CAS Name: carbonic acid [2-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] ester IUPAC Name: [2-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] hydrogen carbonate Traditional Name: carbonic acid [2-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1OC(=O)O)SC(=C2)CC3=CN=CC=C3

Isomeric SMILES

C1CC2=C(CC1OC(=O)O)SC(=C2)CC3=CN=CC=C3

InChI

InChI=1S/C15H15NO3S/c17-15(18)19-12-4-3-11-7-13(20-14(11)8-12)6-10-2-1-5-16-9-10/h1-2,5,7,9,12H,3-4,6,8H2,(H,17,18)