ethyl 6-[2-[(4-chlorophenyl)carbonylamino]ethanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[2-[(4-chlorophenyl)carbonylamino]ethanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-[(4-chlorobenzoyl)amino]acetyl]oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[2-[[(4-chlorophenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-[(4-chlorobenzoyl)amino]acetyl]oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[2-[(4-chlorobenzoyl)amino]acetyl]oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20ClN3O6S MolecularWeight: 477.918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O6S/c1-2-30-20(28)17-14(24-21(29)25-18(17)15-4-3-9-32-15)11-31-16(26)10-23-19(27)12-5-7-13(22)8-6-12/h3-9,18H,2,10-11H2,1H3,(H,23,27)(H2,24,25,29)