O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-(oxiran-2-ylmethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-(oxiran-2-ylmethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-6-(oxiran-2-ylmethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-6-[(2-oxiranylmethylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-methyl-4-(3-nitrophenyl)-6-(oxiran-2-ylmethylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(glycidylthio)methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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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)CSCC3CO3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CSCC3CO3

InChI

InChI=1S/C21H24N2O7S/c1-4-29-21(25)19-16(11-31-10-15-9-30-15)22-12(2)17(20(24)28-3)18(19)13-6-5-7-14(8-13)23(26)27/h5-8,15,18,22H,4,9-11H2,1-3H3