diethyl 2-methyl-4-(3-nitrophenyl)-6-(2-pyrrolidin-1-ylethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(2-pyrrolidin-1-ylethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(2-pyrrolidin-1-ylethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[[2-(1-pyrrolidinyl)ethylthio]methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-(2-pyrrolidin-1-ylethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-[(2-pyrrolidinoethylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSCCN3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSCCN3CCCC3)C

InChI

InChI=1S/C25H33N3O6S/c1-4-33-24(29)21-17(3)26-20(16-35-14-13-27-11-6-7-12-27)23(25(30)34-5-2)22(21)18-9-8-10-19(15-18)28(31)32/h8-10,15,22,26H,4-7,11-14,16H2,1-3H3