2-(3-chlorophenyl)ethyl 4-[(3-methoxy-2,2-dimethyl-3-oxidanylidene-propoxy)carbonyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(3-chlorophenyl)ethyl 4-[(3-methoxy-2,2-dimethyl-3-oxidanylidene-propoxy)carbonyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-chlorophenyl)ethyl 4-[(3-methoxy-2,2-dimethyl-3-oxo-propoxy)carbonyloxymethyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[[(3-methoxy-2,2-dimethyl-3-oxopropoxy)-oxomethoxy]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-[(3-methoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[(3-keto-3-methoxy-2,2-dimethyl-propoxy)carbonyloxymethyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-chlorophenyl)ethyl ester Formula: C22H27ClN2O7S MolecularWeight: 498.97698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O7S/c1-13-17(18(26)30-9-8-14-6-5-7-15(23)10-14)16(25-20(33)24-13)11-31-21(28)32-12-22(2,3)19(27)29-4/h5-7,10,16H,8-9,11-12H2,1-4H3,(H2,24,25,33)