6-(3-pyridin-4-ylpropoxycarbonyl)-2,3-dihydro-1,4-dithiine-5-carboxylic acid

Systemtic Name: 6-(3-pyridin-4-ylpropoxycarbonyl)-2,3-dihydro-1,4-dithiine-5-carboxylic acid Openeye Name: 6-[3-(4-pyridyl)propoxycarbonyl]-2,3-dihydro-1,4-dithiine-5-carboxylic acid CAS Name: 6-[oxo(3-pyridin-4-ylpropoxy)methyl]-2,3-dihydro-1,4-dithiin-5-carboxylic acid IUPAC Name: 6-(3-pyridin-4-ylpropoxycarbonyl)-2,3-dihydro-1,4-dithiine-5-carboxylic acid Traditional Name: 6-[3-(4-pyridyl)propoxycarbonyl]-2,3-dihydro-1,4-dithiin-5-carboxylic acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(S1)C(=O)O)C(=O)OCCCC2=CC=NC=C2

Isomeric SMILES

C1CSC(=C(S1)C(=O)O)C(=O)OCCCC2=CC=NC=C2

InChI

InChI=1S/C14H15NO4S2/c16-13(17)11-12(21-9-8-20-11)14(18)19-7-1-2-10-3-5-15-6-4-10/h3-6H,1-2,7-9H2,(H,16,17)