5-(2-oxidanylideneethenoxycarbonyl)-2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(2-oxidanylideneethenoxycarbonyl)-2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-(benzenesulfinylmethyl)-5-(2-oxovinyloxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-(benzenesulfinylmethyl)-5-[oxo(2-oxoethenoxy)methyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-(benzenesulfinylmethyl)-5-(2-oxoethenoxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-(benzenesulfinylmethyl)-5-(2-ketovinyloxycarbonyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CNC(=C1C(=O)O)CS(=O)C2=CC=CC=C2)C(=O)OC=C=O

Isomeric SMILES

C1C(=CNC(=C1C(=O)O)CS(=O)C2=CC=CC=C2)C(=O)OC=C=O

InChI

InChI=1S/C16H13NO6S/c18-6-7-23-16(21)11-8-13(15(19)20)14(17-9-11)10-24(22)12-4-2-1-3-5-12/h1-5,7,9,17H,8,10H2,(H,19,20)