N-(1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-5-keto-1-(3-nitrophenyl)pyrrolidine-3-carboxamide Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N4O4S/c23-16-8-11(10-21(16)12-4-3-5-13(9-12)22(25)26)17(24)20-18-19-14-6-1-2-7-15(14)27-18/h1-7,9,11H,8,10H2,(H,19,20,24)