methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-sulfinate

Systemtic Name: methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-sulfinate Openeye Name: methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridyl)-1,4-dihydropyridine-3-sulfinate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridinyl)-1,4-dihydropyridine-3-sulfinic acid methyl ester IUPAC Name: methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-pyridin-3-yl-1,4-dihydropyridine-3-sulfinate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-(3-pyridyl)-1,4-dihydropyridine-3-sulfinic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)S(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)S(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C19H19N3O4S/c1-12-17(15-7-5-9-20-11-15)18(19(13(2)21-12)27(25)26-3)14-6-4-8-16(10-14)22(23)24/h4-11,18,21H,1-3H3