ethyl 4-[2,3-bis(chloranyl)phenyl]-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2,3-bis(chloranyl)phenyl]-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,3-dichlorophenyl)-2-(2-methoxy-2-oxo-ethyl)sulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2,3-dichlorophenyl)-2-[(2-methoxy-2-oxoethyl)thio]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dichlorophenyl)-2-(2-methoxy-2-oxoethyl)sulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2,3-dichlorophenyl)-2-[(2-keto-2-methoxy-ethyl)thio]-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H18Cl2N2O4S MolecularWeight: 417.30682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18Cl2N2O4S/c1-4-25-16(23)13-9(2)20-17(26-8-12(22)24-3)21-15(13)10-6-5-7-11(18)14(10)19/h5-7,15H,4,8H2,1-3H3,(H,20,21)