N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-1-keto-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C23CCC(=O)N2C4=CC=CC=C4S3)S(=O)(=O)N5CCCC5

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C23CCC(=O)N2C4=CC=CC=C4S3)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H25N3O5S2/c1-2-31-18-10-9-16(15-20(18)33(29,30)25-13-5-6-14-25)24-22(28)23-12-11-21(27)26(23)17-7-3-4-8-19(17)32-23/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,28)