diethyl 2-[2-(butylamino)ethylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-[2-(butylamino)ethylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[2-(butylamino)ethylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[2-(butylamino)ethylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2-(butylamino)ethylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[2-(butylamino)ethylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H35N3O6S MolecularWeight: 505.6269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCSCC1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCNCCSCC1=C(C(C(=C(N1)C)C(=O)OCC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C25H35N3O6S/c1-5-8-12-26-13-14-35-16-20-23(25(30)34-7-3)22(18-10-9-11-19(15-18)28(31)32)21(17(4)27-20)24(29)33-6-2/h9-11,15,22,26-27H,5-8,12-14,16H2,1-4H3