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

Systemtic Name: 2-[(4-methyl-2-propan-2-yl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[hydroxy-(2-isopropyl-4-methyl-1,3-benzothiazol-5-yl)methylene]cyclohexane-1,3-dione CAS Name: 2-[hydroxy-(4-methyl-2-propan-2-yl-1,3-benzothiazol-5-yl)methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[hydroxy-(4-methyl-2-propan-2-yl-1,3-benzothiazol-5-yl)methylidene]cyclohexane-1,3-dione Traditional Name: 2-[hydroxy-(2-isopropyl-4-methyl-1,3-benzothiazol-5-yl)methylene]cyclohexane-1,3-quinone Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-9(2)18-19-16-10(3)11(7-8-14(16)23-18)17(22)15-12(20)5-4-6-13(15)21/h7-9,22H,4-6H2,1-3H3