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

Systemtic Name: ethyl 6-[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[4-(5-chloro-2-thiophenyl)-1,4-dioxobutoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(5-chloro-2-thienyl)-4-keto-butanoyl]oxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17ClN2O6S MolecularWeight: 400.83398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)COC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C16H17ClN2O6S/c1-2-24-15(22)9-7-18-16(23)19-10(9)8-25-14(21)6-3-11(20)12-4-5-13(17)26-12/h4-5H,2-3,6-8H2,1H3,(H2,18,19,23)