N-[7-(4-bromophenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide

Systemtic Name: N-[7-(4-bromophenyl)carbonyl-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide Openeye Name: N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide CAS Name: N-[7-[(4-bromophenyl)-oxomethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-2-thiophenecarboxamide IUPAC Name: N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide Traditional Name: N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide Formula: C20H14BrNO4S MolecularWeight: 444.29846

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)NC(=O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)NC(=O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H14BrNO4S/c21-13-5-3-12(4-6-13)19(23)14-10-16-17(26-8-7-25-16)11-15(14)22-20(24)18-2-1-9-27-18/h1-6,9-11H,7-8H2,(H,22,24)