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

Systemtic Name: ethyl 6-[3-[(4-chlorophenyl)sulfonylamino]propanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(4-chlorophenyl)sulfonylamino]propanoyloxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[3-[(4-chlorophenyl)sulfonylamino]-1-oxopropoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(4-chlorophenyl)sulfonylamino]propanoyloxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-chlorophenyl)sulfonylamino]propanoyloxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22ClN3O7S2 MolecularWeight: 527.99828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O7S2/c1-2-31-20(27)18-15(24-21(28)25-19(18)16-4-3-11-33-16)12-32-17(26)9-10-23-34(29,30)14-7-5-13(22)6-8-14/h3-8,11,19,23H,2,9-10,12H2,1H3,(H2,24,25,28)