2-(3-chlorophenyl)ethyl 6-methyl-4-[2-(phenylcarbonyloxy)ethoxycarbonyloxymethyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(3-chlorophenyl)ethyl 6-methyl-4-[2-(phenylcarbonyloxy)ethoxycarbonyloxymethyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-chlorophenyl)ethyl 4-(2-benzoyloxyethoxycarbonyloxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-benzoyloxyethoxy(oxo)methoxy]methyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-chlorophenyl)ethyl ester IUPAC Name: 2-(3-chlorophenyl)ethyl 4-(2-benzoyloxyethoxycarbonyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2-benzoyloxyethoxycarbonyloxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-chlorophenyl)ethyl ester Formula: C25H25ClN2O7S MolecularWeight: 532.9932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)COC(=O)OCCOC(=O)C2=CC=CC=C2)C(=O)OCCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(NC(=S)N1)COC(=O)OCCOC(=O)C2=CC=CC=C2)C(=O)OCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H25ClN2O7S/c1-16-21(23(30)32-11-10-17-6-5-9-19(26)14-17)20(28-24(36)27-16)15-35-25(31)34-13-12-33-22(29)18-7-3-2-4-8-18/h2-9,14,20H,10-13,15H2,1H3,(H2,27,28,36)