6-[3-cyclooctyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-cyclooctyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-cyclooctyl-2-(4-methoxyphenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-cyclooctyl-2-(4-methoxyphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-cyclooctyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-cyclooctyl-2-(4-methoxyphenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CCCCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CCCCCCC5

InChI

InChI=1S/C26H29N3O3S/c1-31-21-12-10-19(11-13-21)27-26-29(20-7-5-3-2-4-6-8-20)23(17-33-26)18-9-14-24-22(15-18)28-25(30)16-32-24/h9-15,17,20H,2-8,16H2,1H3,(H,28,30)