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

Systemtic Name: 2-(3-chlorophenyl)ethyl 6-methyl-4-(2-methylsulfonylethoxycarbonyloxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-chlorophenyl)ethyl 6-methyl-4-(2-methylsulfonylethoxycarbonyloxymethyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[[2-methylsulfonylethoxy(oxo)methoxy]methyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-chlorophenyl)ethyl ester IUPAC Name: 2-(3-chlorophenyl)ethyl 6-methyl-4-(2-methylsulfonylethoxycarbonyloxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-mesylethoxycarbonyloxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-chlorophenyl)ethyl ester Formula: C19H23ClN2O7S2 MolecularWeight: 490.97812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)COC(=O)OCCS(=O)(=O)C)C(=O)OCCC2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=C(C(NC(=S)N1)COC(=O)OCCS(=O)(=O)C)C(=O)OCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H23ClN2O7S2/c1-12-16(17(23)27-7-6-13-4-3-5-14(20)10-13)15(22-18(30)21-12)11-29-19(24)28-8-9-31(2,25)26/h3-5,10,15H,6-9,11H2,1-2H3,(H2,21,22,30)