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

Systemtic Name: 2-[(2-ethyl-4-methyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(2-ethyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[(2-ethyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[(2-ethyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[(2-ethyl-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(S1)C=CC(=C2C)C(=C3C(=O)CCCC3=O)O

Isomeric SMILES

CCC1=NC2=C(S1)C=CC(=C2C)C(=C3C(=O)CCCC3=O)O

InChI

InChI=1S/C17H17NO3S/c1-3-14-18-16-9(2)10(7-8-13(16)22-14)17(21)15-11(19)5-4-6-12(15)20/h7-8,21H,3-6H2,1-2H3