ethyl (4S)-6-[[4-(ethylamino)-3-nitro-phenyl]carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[4-(ethylamino)-3-nitro-phenyl]carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[4-(ethylamino)-3-nitro-benzoyl]oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[[4-(ethylamino)-3-nitrophenyl]-oxomethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[4-(ethylamino)-3-nitrobenzoyl]oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[4-(ethylamino)-3-nitro-benzoyl]oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N4O7S MolecularWeight: 474.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC2=C(C(NC(=O)N2)C3=CC=CS3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC2=C([C@H](NC(=O)N2)C3=CC=CS3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7S/c1-3-22-13-8-7-12(10-15(13)25(29)30)19(26)32-11-14-17(20(27)31-4-2)18(24-21(28)23-14)16-6-5-9-33-16/h5-10,18,22H,3-4,11H2,1-2H3,(H2,23,24,28)/t18-/m1/s1