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

Systemtic Name: 2-[[2-(chloromethyl)-4-methyl-1,3-benzothiazol-5-yl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[2-(chloromethyl)-4-methyl-1,3-benzothiazol-5-yl]-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[[2-(chloromethyl)-4-methyl-1,3-benzothiazol-5-yl]-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[2-(chloromethyl)-4-methyl-1,3-benzothiazol-5-yl]-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[[2-(chloromethyl)-4-methyl-1,3-benzothiazol-5-yl]-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)CCl)C(=C3C(=O)CCCC3=O)O

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)CCl)C(=C3C(=O)CCCC3=O)O

InChI

InChI=1S/C16H14ClNO3S/c1-8-9(5-6-12-15(8)18-13(7-17)22-12)16(21)14-10(19)3-2-4-11(14)20/h5-6,21H,2-4,7H2,1H3