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

Systemtic Name: 2-(3-chlorophenyl)ethyl 4-(ethoxycarbonyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-chlorophenyl)ethyl 4-(ethoxycarbonyloxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(ethoxycarbonyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-chlorophenyl)ethyl ester IUPAC Name: 2-(3-chlorophenyl)ethyl 4-(ethoxycarbonyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(carbethoxyoxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-chlorophenyl)ethyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCC1C(=C(NC(=S)N1)C)C(=O)OCCC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)OCC1C(=C(NC(=S)N1)C)C(=O)OCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H21ClN2O5S/c1-3-24-18(23)26-10-14-15(11(2)20-17(27)21-14)16(22)25-8-7-12-5-4-6-13(19)9-12/h4-6,9,14H,3,7-8,10H2,1-2H3,(H2,20,21,27)