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

Systemtic Name: 2-[(2,4-dimethyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(2,4-dimethyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[(2,4-dimethyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[(2,4-dimethyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[(2,4-dimethyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S/c1-8-10(6-7-13-15(8)17-9(2)21-13)16(20)14-11(18)4-3-5-12(14)19/h6-7,20H,3-5H2,1-2H3