5-(phenylsulfinylmethoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(phenylsulfinylmethoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(benzenesulfinylmethoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[benzenesulfinylmethoxy(oxo)methyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(benzenesulfinylmethoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(benzenesulfinylmethoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CNC=C1C(=O)OCS(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C(=CNC=C1C(=O)OCS(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H13NO5S/c16-13(17)10-6-11(8-15-7-10)14(18)20-9-21(19)12-4-2-1-3-5-12/h1-5,7-8,15H,6,9H2,(H,16,17)