2-[(E)-2-(7-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(7-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-(7-bromo-1,3-benzodioxol-5-yl)vinyl]-1,3-benzothiazole CAS Name: 2-[(E)-2-(7-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(7-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-(7-bromo-1,3-benzodioxol-5-yl)vinyl]-1,3-benzothiazole Formula: C16H10BrNO2S MolecularWeight: 360.2251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=CC3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C/C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C16H10BrNO2S/c17-11-7-10(8-13-16(11)20-9-19-13)5-6-15-18-12-3-1-2-4-14(12)21-15/h1-8H,9H2/b6-5+