ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-(propan-2-yloxycarbothioylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-(propan-2-yloxycarbothioylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-(isopropoxycarbothioylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-2-oxo-6-[[[propan-2-yloxy(sulfanylidene)methyl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-(propan-2-yloxycarbothioylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-6-[(isopropoxycarbothioylthio)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21ClN2O4S2 MolecularWeight: 428.95334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC(=S)OC(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC(=S)OC(C)C

InChI

InChI=1S/C18H21ClN2O4S2/c1-4-24-16(22)14-13(9-27-18(26)25-10(2)3)20-17(23)21-15(14)11-5-7-12(19)8-6-11/h5-8,10,15H,4,9H2,1-3H3,(H2,20,21,23)