O5-ethyl O3-methyl 2-[(1-methanoylpyrrolidin-2-yl)methylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-[(1-methanoylpyrrolidin-2-yl)methylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-[(1-formylpyrrolidin-2-yl)methylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(1-formyl-2-pyrrolidinyl)methylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-[(1-formylpyrrolidin-2-yl)methylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(1-formylpyrrolidin-2-yl)methylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C24H29N3O7S MolecularWeight: 503.56796

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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)OC)CSCC3CCCN3C=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CSCC3CCCN3C=O)C

InChI

InChI=1S/C24H29N3O7S/c1-4-34-24(30)20-15(2)25-19(13-35-12-18-9-6-10-26(18)14-28)22(23(29)33-3)21(20)16-7-5-8-17(11-16)27(31)32/h5,7-8,11,14,18,21,25H,4,6,9-10,12-13H2,1-3H3