4-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-ylsulfonylmethyl)oxane-4-carboxylic acid

Systemtic Name: 4-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-ylsulfonylmethyl)oxane-4-carboxylic acid Openeye Name: 4-(3,4-dihydro-1H-benzothiopheno[2,3-c]pyridin-2-ylsulfonylmethyl)tetrahydropyran-4-carboxylic acid CAS Name: 4-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-ylsulfonylmethyl)-4-oxanecarboxylic acid IUPAC Name: 4-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-ylsulfonylmethyl)oxane-4-carboxylic acid Traditional Name: 4-(3,4-dihydro-1H-benzothiopheno[2,3-c]pyridin-2-ylsulfonylmethyl)tetrahydropyran-4-carboxylic acid Formula: C18H21NO5S2 MolecularWeight: 395.49304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C3=CC=CC=C3S2)S(=O)(=O)CC4(CCOCC4)C(=O)O

Isomeric SMILES

C1CN(CC2=C1C3=CC=CC=C3S2)S(=O)(=O)CC4(CCOCC4)C(=O)O

InChI

InChI=1S/C18H21NO5S2/c20-17(21)18(6-9-24-10-7-18)12-26(22,23)19-8-5-14-13-3-1-2-4-15(13)25-16(14)11-19/h1-4H,5-12H2,(H,20,21)