N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)-3-pyrrolidinecarboxamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Traditional Name: 5-keto-N-(6-nitro-1,3-benzothiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O7S/c1-30-15-7-13(8-16(31-2)19(15)32-3)24-10-11(6-18(24)26)20(27)23-21-22-14-5-4-12(25(28)29)9-17(14)33-21/h4-5,7-9,11H,6,10H2,1-3H3,(H,22,23,27)