1-butyl-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-butyl-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-butyl-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-butyl-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-butyl-N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-butyl-5-keto-N-(6-nitro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(CC1=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1CC(CC1=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-2-3-6-19-9-10(7-14(19)21)15(22)18-16-17-12-5-4-11(20(23)24)8-13(12)25-16/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,17,18,22)