2-(3-nitrophenyl)ethyl 4-(2-ethanoylsulfanylethoxycarbonyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(3-nitrophenyl)ethyl 4-(2-ethanoylsulfanylethoxycarbonyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-nitrophenyl)ethyl 4-(2-acetylsulfanylethoxycarbonyloxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-(acetylthio)ethoxy-oxomethoxy]methyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-nitrophenyl)ethyl ester IUPAC Name: 2-(3-nitrophenyl)ethyl 4-(2-acetylsulfanylethoxycarbonyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[2-(acetylthio)ethoxycarbonyloxymethyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-nitrophenyl)ethyl ester Formula: C20H23N3O8S2 MolecularWeight: 497.54192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)COC(=O)OCCSC(=O)C)C(=O)OCCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1)COC(=O)OCCSC(=O)C)C(=O)OCCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O8S2/c1-12-17(18(25)29-7-6-14-4-3-5-15(10-14)23(27)28)16(22-19(32)21-12)11-31-20(26)30-8-9-33-13(2)24/h3-5,10,16H,6-9,11H2,1-2H3,(H2,21,22,32)