butyl (4S)-6-methyl-4-(5-nitrothiophen-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: butyl (4S)-6-methyl-4-(5-nitrothiophen-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: butyl (4S)-6-methyl-4-(5-nitro-2-thienyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-(5-nitro-2-thiophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid butyl ester IUPAC Name: butyl (4S)-6-methyl-4-(5-nitrothiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-methyl-4-(5-nitro-2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid butyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC(=O)NC1C2=CC=C(S2)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(S2)[N+](=O)[O-])C

InChI

InChI=1S/C14H17N3O5S/c1-3-4-7-22-13(18)11-8(2)15-14(19)16-12(11)9-5-6-10(23-9)17(20)21/h5-6,12H,3-4,7H2,1-2H3,(H2,15,16,19)/t12-/m1/s1