6-[(E)-[4-methoxy-6-(2-methoxyphenyl)-2-adamantylidene]methyl]-1,3-benzothiazole

Systemtic Name: 6-[(E)-[4-methoxy-6-(2-methoxyphenyl)-2-adamantylidene]methyl]-1,3-benzothiazole Openeye Name: 6-[(E)-[4-methoxy-6-(2-methoxyphenyl)-2-adamantylidene]methyl]-1,3-benzothiazole CAS Name: 6-[(E)-[4-methoxy-6-(2-methoxyphenyl)-2-adamantylidene]methyl]-1,3-benzothiazole IUPAC Name: 6-[(E)-[4-methoxy-6-(2-methoxyphenyl)-2-adamantylidene]methyl]-1,3-benzothiazole Traditional Name: 6-[(E)-[4-methoxy-6-(2-methoxyphenyl)-2-adamantylidene]methyl]-1,3-benzothiazole Formula: C26H27NO2S MolecularWeight: 417.56308

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2CC3CC(C2C4=CC=CC=C4OC)CC1C3=CC5=CC6=C(C=C5)N=CS6

Isomeric SMILES

COC1C2CC\3CC(C2C4=CC=CC=C4OC)CC1/C3=C/C5=CC6=C(C=C5)N=CS6

InChI

InChI=1S/C26H27NO2S/c1-28-23-6-4-3-5-18(23)25-17-11-16-12-21(25)26(29-2)20(13-17)19(16)9-15-7-8-22-24(10-15)30-14-27-22/h3-10,14,16-17,20-21,25-26H,11-13H2,1-2H3/b19-9+