N-(5-tert-butyl-2-methoxy-phenyl)-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-keto-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C23CCC(=O)N2C4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C23CCC(=O)N2C4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O3S/c1-21(2,3)14-9-10-17(27-4)15(13-14)23-20(26)22-12-11-19(25)24(22)16-7-5-6-8-18(16)28-22/h5-10,13H,11-12H2,1-4H3,(H,23,26)