dimethyl 2-methanoyl-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate; (sulfinatoamino)methane

Systemtic Name: dimethyl 2-methanoyl-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate; (sulfinatoamino)methane Openeye Name: dimethyl 2-formyl-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate; (sulfinatoamino)methane CAS Name: 2-formyl-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester; (sulfinatoamino)methane IUPAC Name: dimethyl 2-formyl-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate; (sulfinatoamino)methane Traditional Name: 2-formyl-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester; (sulfinatoamino)methane Formula: C18H21N2O7S- MolecularWeight: 409.43354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C=O)C(=O)OC)C2=CC=CC=C2)C(=O)OC.CNS(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C=O)C(=O)OC)C2=CC=CC=C2)C(=O)OC.CNS(=O)[O-]

InChI

InChI=1S/C17H17NO5.CH5NO2S/c1-10-13(16(20)22-2)14(11-7-5-4-6-8-11)15(17(21)23-3)12(9-19)18-10;1-2-5(3)4/h4-9,14,18H,1-3H3;2H,1H3,(H,3,4)/p-1