diethyl 2-(3-chloranyl-3-thiophen-3-yl-propyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(3-chloranyl-3-thiophen-3-yl-propyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[3-chloro-3-(3-thienyl)propyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[3-chloro-3-(3-thiophenyl)propyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(3-chloro-3-thiophen-3-ylpropyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[3-chloro-3-(3-thienyl)propyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H27ClN2O6S MolecularWeight: 519.00968

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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)CCC(C3=CSC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CCC(C3=CSC=C3)Cl)C

InChI

InChI=1S/C25H27ClN2O6S/c1-4-33-24(29)21-15(3)27-20(10-9-19(26)17-11-12-35-14-17)23(25(30)34-5-2)22(21)16-7-6-8-18(13-16)28(31)32/h6-8,11-14,19,22,27H,4-5,9-10H2,1-3H3