ethyl 4-[2,3-bis(chloranyl)phenyl]-6-methyl-2-propan-2-ylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2,3-bis(chloranyl)phenyl]-6-methyl-2-propan-2-ylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,3-dichlorophenyl)-2-isopropylsulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2,3-dichlorophenyl)-6-methyl-2-(propan-2-ylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dichlorophenyl)-6-methyl-2-propan-2-ylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2,3-dichlorophenyl)-2-(isopropylthio)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H20Cl2N2O2S MolecularWeight: 387.3239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=C(C(=CC=C2)Cl)Cl)SC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=C(C(=CC=C2)Cl)Cl)SC(C)C)C

InChI

InChI=1S/C17H20Cl2N2O2S/c1-5-23-16(22)13-10(4)20-17(24-9(2)3)21-15(13)11-7-6-8-12(18)14(11)19/h6-9,15H,5H2,1-4H3,(H,20,21)