1-ethylsulfanylethyl 2,6-dimethyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 1-ethylsulfanylethyl 2,6-dimethyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 1-ethylsulfanylethyl 2,6-dimethyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 1-(ethylthio)ethyl ester IUPAC Name: 1-ethylsulfanylethyl 2,6-dimethyl-5-methylsulfonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-mesyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 1-(ethylthio)ethyl ester Formula: C19H24N2O6S2 MolecularWeight: 440.53366

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)OC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)C)C

Isomeric SMILES

CCSC(C)OC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C)C)C

InChI

InChI=1S/C19H24N2O6S2/c1-6-28-13(4)27-19(22)16-11(2)20-12(3)18(29(5,25)26)17(16)14-8-7-9-15(10-14)21(23)24/h7-10,13,17,20H,6H2,1-5H3