O3-ethyl O5-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(5-methylsulfanyl-2-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(5-methylsulfanyl-2-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(5-methylsulfanyl-2-nitro-phenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(2-formamidoethylthio)methyl]-6-methyl-4-[5-(methylthio)-2-nitrophenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-(5-methylsulfanyl-2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(2-formamidoethylthio)methyl]-6-methyl-4-[5-(methylthio)-2-nitro-phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C22H27N3O7S2 MolecularWeight: 509.59568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S2/c1-5-32-22(28)20-16(11-34-9-8-23-12-26)24-13(2)18(21(27)31-3)19(20)15-10-14(33-4)6-7-17(15)25(29)30/h6-7,10,12,19,24H,5,8-9,11H2,1-4H3,(H,23,26)