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

Systemtic Name: O3-ethyl O5-methyl 2-[(6-acetamido-2-oxidanylidene-hexyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-[(6-acetamido-2-oxo-hexyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(6-acetamido-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-acetamido-2-oxohexyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(6-acetamido-2-keto-hexyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C26H33N3O8S MolecularWeight: 547.62052

Click to see the large picture

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)CCCCNC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O8S/c1-5-37-26(33)24-21(15-38-14-20(31)11-6-7-12-27-17(3)30)28-16(2)22(25(32)36-4)23(24)18-9-8-10-19(13-18)29(34)35/h8-10,13,23,28H,5-7,11-12,14-15H2,1-4H3,(H,27,30)