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

Systemtic Name: 2-[[2-(2-fluoranylphenoxy)-4-methyl-1,3-benzothiazol-5-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[2-(2-fluorophenoxy)-4-methyl-1,3-benzothiazol-5-yl]-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[[2-(2-fluorophenoxy)-4-methyl-1,3-benzothiazol-5-yl]-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[2-(2-fluorophenoxy)-4-methyl-1,3-benzothiazol-5-yl]-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[[2-(2-fluorophenoxy)-4-methyl-1,3-benzothiazol-5-yl]-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C21H16FNO4S MolecularWeight: 397.419443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)OC3=CC=CC=C3F)C(=C4C(=O)CCCC4=O)O

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)OC3=CC=CC=C3F)C(=C4C(=O)CCCC4=O)O

InChI

InChI=1S/C21H16FNO4S/c1-11-12(20(26)18-14(24)6-4-7-15(18)25)9-10-17-19(11)23-21(28-17)27-16-8-3-2-5-13(16)22/h2-3,5,8-10,26H,4,6-7H2,1H3