2-[4-(1,3-benzothiazol-2-yl)-2-bromanyl-6-methoxy-phenoxy]-1-phenyl-ethanone

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromanyl-6-methoxy-phenoxy]-1-phenyl-ethanone Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxy-phenoxy]-1-phenyl-ethanone CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenoxy]-1-phenylethanone IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxyphenoxy]-1-phenylethanone Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)-2-bromo-6-methoxy-phenoxy]-1-phenyl-ethanone Formula: C22H16BrNO3S MolecularWeight: 454.33634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)Br)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=NC3=CC=CC=C3S2)Br)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H16BrNO3S/c1-26-19-12-15(22-24-17-9-5-6-10-20(17)28-22)11-16(23)21(19)27-13-18(25)14-7-3-2-4-8-14/h2-12H,13H2,1H3