diethyl 2-(1-methanethioylsulfanylethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(1-methanethioylsulfanylethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(1-methanethioylsulfanylethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[1-(methanethioylthio)ethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(1-methanethioylsulfanylethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-[1-(thioformylthio)ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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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)OCC)C(C)SC=S)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C(C)SC=S)C

InChI

InChI=1S/C21H24N2O6S2/c1-5-28-20(24)16-12(3)22-19(13(4)31-11-30)18(21(25)29-6-2)17(16)14-8-7-9-15(10-14)23(26)27/h7-11,13,17,22H,5-6H2,1-4H3