2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 2-(benzenesulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(benzenesulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 2-(benzenesulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(benzenesulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Formula: C14H11NO5S-2 MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CNC(=C1C(=O)[O-])CS(=O)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C1C(=CNC(=C1C(=O)[O-])CS(=O)C2=CC=CC=C2)C(=O)[O-]

InChI

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