4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-hydroxy-4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclohexa-2,5-dien-1-one CAS Name: 4-hydroxy-4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-cyclohexa-2,5-dienone IUPAC Name: 4-hydroxy-4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclohexa-2,5-dien-1-one Traditional Name: 4-hydroxy-4-(6-mesyl-1,3-benzothiazol-2-yl)cyclohexa-2,5-dien-1-one Formula: C14H11NO4S2 MolecularWeight: 321.37144

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)C3(C=CC(=O)C=C3)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)C3(C=CC(=O)C=C3)O

InChI

InChI=1S/C14H11NO4S2/c1-21(18,19)10-2-3-11-12(8-10)20-13(15-11)14(17)6-4-9(16)5-7-14/h2-8,17H,1H3