2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C16H12BrNO5S MolecularWeight: 410.23918

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C16H12BrNO5S/c17-12-8-14-13(22-5-6-23-14)7-10(12)9-18-16(19)11-3-1-2-4-15(11)24(18,20)21/h1-4,7-8H,5-6,9H2