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

Systemtic Name: O3-ethyl O5-methyl 2-[(5-acetamido-2-oxidanylidene-pentyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-[(5-acetamido-2-oxo-pentyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[(5-acetamido-2-oxopentyl)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-[(5-acetamido-2-oxopentyl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[(5-acetamido-2-keto-pentyl)thio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C25H31N3O8S MolecularWeight: 533.59394

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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)CCCNC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O8S/c1-5-36-25(32)23-20(14-37-13-19(30)10-7-11-26-16(3)29)27-15(2)21(24(31)35-4)22(23)17-8-6-9-18(12-17)28(33)34/h6,8-9,12,22,27H,5,7,10-11,13-14H2,1-4H3,(H,26,29)