3-[(2-bromanyl-4-methyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 3-[(2-bromanyl-4-methyl-1,3-benzothiazol-5-yl)-oxidanyl-methylidene]bicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-[(2-bromo-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]bicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[(2-bromo-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]bicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-[(2-bromo-4-methyl-1,3-benzothiazol-5-yl)-hydroxymethylidene]bicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-[(2-bromo-4-methyl-1,3-benzothiazol-5-yl)-hydroxy-methylene]bicyclo[3.2.1]octane-2,4-quinone Formula: C17H14BrNO3S MolecularWeight: 392.26696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)Br)C(=C3C(=O)C4CCC(C4)C3=O)O

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)Br)C(=C3C(=O)C4CCC(C4)C3=O)O

InChI

InChI=1S/C17H14BrNO3S/c1-7-10(4-5-11-13(7)19-17(18)23-11)16(22)12-14(20)8-2-3-9(6-8)15(12)21/h4-5,8-9,22H,2-3,6H2,1H3