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

Systemtic Name: ethyl 6-[2-(2-nitrophenyl)sulfanylethanoyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[2-(2-nitrophenyl)sulfanylacetyl]oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[2-[(2-nitrophenyl)thio]-1-oxoethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-(2-nitrophenyl)sulfanylacetyl]oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[2-[(2-nitrophenyl)thio]acetyl]oxymethyl]-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O7S2 MolecularWeight: 477.51076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7S2/c1-2-29-19(25)17-12(21-20(26)22-18(17)15-8-5-9-31-15)10-30-16(24)11-32-14-7-4-3-6-13(14)23(27)28/h3-9,18H,2,10-11H2,1H3,(H2,21,22,26)