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

Systemtic Name: 2-(3-chlorophenyl)ethyl 4-(acetyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-chlorophenyl)ethyl 4-(acetoxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(acetyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-chlorophenyl)ethyl ester IUPAC Name: 2-(3-chlorophenyl)ethyl 4-(acetyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(acetoxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-chlorophenyl)ethyl ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O4S/c1-10-15(14(9-24-11(2)21)20-17(25)19-10)16(22)23-7-6-12-4-3-5-13(18)8-12/h3-5,8,14H,6-7,9H2,1-2H3,(H2,19,20,25)