ethyl 6-[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(5-chloro-2-thiophenyl)-1,4-dioxobutoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(5-chloro-2-thienyl)-4-keto-butanoyl]oxymethyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21ClN2O6S MolecularWeight: 476.92994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C22H21ClN2O6S/c1-2-30-21(28)19-14(24-22(29)25-20(19)13-6-4-3-5-7-13)12-31-18(27)11-8-15(26)16-9-10-17(23)32-16/h3-7,9-10,20H,2,8,11-12H2,1H3,(H2,24,25,29)