N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-7-(5-methylthiophen-2-yl)-4,7-bis(oxidanylidene)heptanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-7-(5-methyl-2-thienyl)-4,7-dioxo-heptanamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-7-(5-methyl-2-thiophenyl)-4,7-dioxoheptanamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4,7-diketo-7-(5-methyl-2-thienyl)enanthamide Formula: C20H20BrNO5S MolecularWeight: 466.3455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C20H20BrNO5S/c1-12-2-6-19(28-12)16(24)5-3-13(23)4-7-20(25)22-15-11-18-17(10-14(15)21)26-8-9-27-18/h2,6,10-11H,3-5,7-9H2,1H3,(H,22,25)