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

Systemtic Name: 2-[[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[hydroxy-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]methylene]cyclohexane-1,3-dione CAS Name: 2-[hydroxy-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[hydroxy-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]methylidene]cyclohexane-1,3-dione Traditional Name: 2-[hydroxy-[2-(4-methoxyphenyl)-4-methyl-1,3-benzothiazol-5-yl]methylene]cyclohexane-1,3-quinone Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)C3=CC=C(C=C3)OC)C(=C4C(=O)CCCC4=O)O

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)C3=CC=C(C=C3)OC)C(=C4C(=O)CCCC4=O)O

InChI

InChI=1S/C22H19NO4S/c1-12-15(21(26)19-16(24)4-3-5-17(19)25)10-11-18-20(12)23-22(28-18)13-6-8-14(27-2)9-7-13/h6-11,26H,3-5H2,1-2H3