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

Systemtic Name: 2-[(2-bromanyl-4-methyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[(2-bromo-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[(2-bromo-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[(2-bromo-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[(2-bromo-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C15H12BrNO3S MolecularWeight: 366.22968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrNO3S/c1-7-8(5-6-11-13(7)17-15(16)21-11)14(20)12-9(18)3-2-4-10(12)19/h5-6,20H,2-4H2,1H3