N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-pyrrolyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=C(SC4=C3CCSC4)N5C=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=C(SC4=C3CCSC4)N5C=CC=C5)OC1

InChI

InChI=1S/C21H20N2O3S2/c24-20(22-14-4-5-16-17(12-14)26-10-3-9-25-16)19-15-6-11-27-13-18(15)28-21(19)23-7-1-2-8-23/h1-2,4-5,7-8,12H,3,6,9-11,13H2,(H,22,24)