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

Systemtic Name: 2-(phenylsulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride Openeye Name: 2-(benzenesulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride CAS Name: 2-(benzenesulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride IUPAC Name: 2-(benzenesulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride Traditional Name: 2-(benzenesulfinylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride Formula: C14H12ClNO5S-2 MolecularWeight: 341.76678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO5S.ClH/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);1H/p-2