butyl (5S,6S)-4-methylidene-6-(5-nitrothiophen-2-yl)-2-oxidanylidene-1,3-diazinane-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)[C@H]1[C@H](NC(=O)NC1=C)C2=CC=C(S2)[N+](=O)[O-]

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/h5-6,11-12H,2-4,7H2,1H3,(H2,15,16,19)/t11-,12-/m1/s1