2-[(3E,5R,7E)-8-bromanyl-5-methoxy-octa-3,7-dien-2-yl]sulfonyl-1,3-benzothiazole

Systemtic Name: 2-[(3E,5R,7E)-8-bromanyl-5-methoxy-octa-3,7-dien-2-yl]sulfonyl-1,3-benzothiazole Openeye Name: 2-[(2E,4R,6E)-7-bromo-4-methoxy-1-methyl-hepta-2,6-dienyl]sulfonyl-1,3-benzothiazole CAS Name: 2-[(3E,5R,7E)-8-bromo-5-methoxyocta-3,7-dien-2-yl]sulfonyl-1,3-benzothiazole IUPAC Name: 2-[(3E,5R,7E)-8-bromo-5-methoxyocta-3,7-dien-2-yl]sulfonyl-1,3-benzothiazole Traditional Name: 2-[(2E,4R,6E)-7-bromo-4-methoxy-1-methyl-hepta-2,6-dienyl]sulfonyl-1,3-benzothiazole Formula: C16H18BrNO3S2 MolecularWeight: 416.35302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(CC=CBr)OC)S(=O)(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(/C=C/[C@@H](C/C=C/Br)OC)S(=O)(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H18BrNO3S2/c1-12(9-10-13(21-2)6-5-11-17)23(19,20)16-18-14-7-3-4-8-15(14)22-16/h3-5,7-13H,6H2,1-2H3/b10-9+,11-5+/t12?,13-/m1/s1