[3-methyl-2-(pyridin-3-ylmethyl)-1-benzothiophen-5-yl] hydrogen carbonate

Systemtic Name: [3-methyl-2-(pyridin-3-ylmethyl)-1-benzothiophen-5-yl] hydrogen carbonate Openeye Name: [3-methyl-2-(3-pyridylmethyl)benzothiophen-5-yl] hydrogen carbonate CAS Name: carbonic acid [3-methyl-2-(3-pyridinylmethyl)-1-benzothiophen-5-yl] ester IUPAC Name: [3-methyl-2-(pyridin-3-ylmethyl)-1-benzothiophen-5-yl] hydrogen carbonate Traditional Name: carbonic acid [3-methyl-2-(3-pyridylmethyl)benzothiophen-5-yl] ester Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)OC(=O)O)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)OC(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C16H13NO3S/c1-10-13-8-12(20-16(18)19)4-5-14(13)21-15(10)7-11-3-2-6-17-9-11/h2-6,8-9H,7H2,1H3,(H,18,19)