(3S)-1-butyl-N-(5-nitro-1,3-thiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-butyl-N-(5-nitro-1,3-thiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-butyl-N-(5-nitrothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-butyl-N-(5-nitro-2-thiazolyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-butyl-N-(5-nitro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-butyl-5-keto-N-(5-nitrothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(CC1=O)C(=O)NC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C[C@H](CC1=O)C(=O)NC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4S/c1-2-3-4-15-7-8(5-9(15)17)11(18)14-12-13-6-10(21-12)16(19)20/h6,8H,2-5,7H2,1H3,(H,13,14,18)/t8-/m0/s1