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

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

CC(C)(C)N1CC(CC1=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1CC(CC1=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

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