2-[[2-(2-methoxyphenoxy)-4-methyl-1,3-benzothiazol-5-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[[2-(2-methoxyphenoxy)-4-methyl-1,3-benzothiazol-5-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[hydroxy-[2-(2-methoxyphenoxy)-4-methyl-1,3-benzothiazol-5-yl]methylene]cyclohexane-1,3-dione CAS Name: 2-[hydroxy-[2-(2-methoxyphenoxy)-4-methyl-1,3-benzothiazol-5-yl]methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[hydroxy-[2-(2-methoxyphenoxy)-4-methyl-1,3-benzothiazol-5-yl]methylidene]cyclohexane-1,3-dione Traditional Name: 2-[hydroxy-[2-(2-methoxyphenoxy)-4-methyl-1,3-benzothiazol-5-yl]methylene]cyclohexane-1,3-quinone Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)OC3=CC=CC=C3OC)C(=C4C(=O)CCCC4=O)O

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)OC3=CC=CC=C3OC)C(=C4C(=O)CCCC4=O)O

InChI

InChI=1S/C22H19NO5S/c1-12-13(21(26)19-14(24)6-5-7-15(19)25)10-11-18-20(12)23-22(29-18)28-17-9-4-3-8-16(17)27-2/h3-4,8-11,26H,5-7H2,1-2H3