ethyl 6-(acetyloxymethyl)-2-methylsulfanyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(acetyloxymethyl)-2-methylsulfanyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(acetoxymethyl)-2-methylsulfanyl-4-(2-methylsulfanyl-3-nitro-phenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-(acetyloxymethyl)-2-(methylthio)-4-[2-(methylthio)-3-nitrophenyl]-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(acetyloxymethyl)-2-methylsulfanyl-4-(2-methylsulfanyl-3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-(acetoxymethyl)-2-(methylthio)-4-[2-(methylthio)-3-nitro-phenyl]-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=C(C(=CC=C2)[N+](=O)[O-])SC)SC)COC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=C(C(=CC=C2)[N+](=O)[O-])SC)SC)COC(=O)C

InChI

InChI=1S/C18H21N3O6S2/c1-5-26-17(23)14-12(9-27-10(2)22)19-18(29-4)20-15(14)11-7-6-8-13(21(24)25)16(11)28-3/h6-8,15H,5,9H2,1-4H3,(H,19,20)