O3-ethyl O5-methyl 2-[(6-azanyl-2-oxidanylidene-hexyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 2-[(6-azanyl-2-oxidanylidene-hexyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-[(6-amino-2-oxo-hexyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(6-amino-2-oxohexyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 2-[(6-amino-2-oxohexyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(6-amino-2-keto-hexyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C24H31N3O7S MolecularWeight: 505.58384

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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)C)CSCC(=O)CCCCN

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O7S/c1-4-34-24(30)22-19(14-35-13-18(28)10-5-6-11-25)26-15(2)20(23(29)33-3)21(22)16-8-7-9-17(12-16)27(31)32/h7-9,12,21,26H,4-6,10-11,13-14,25H2,1-3H3