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

Systemtic Name: 2-[[2-(3-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[2-(3-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[[2-(3-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[2-(3-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[[2-(3-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C21H16FNO3S MolecularWeight: 381.420043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FNO3S/c1-11-14(20(26)18-15(24)6-3-7-16(18)25)8-9-17-19(11)23-21(27-17)12-4-2-5-13(22)10-12/h2,4-5,8-10,26H,3,6-7H2,1H3