2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid IUPAC Name: 2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[(6-mesyl-1,3-benzothiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C16H14N2O6S2 MolecularWeight: 394.42216

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3C4C=CC(C3C(=O)O)O4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3C4C=CC(C3C(=O)O)O4

InChI

InChI=1S/C16H14N2O6S2/c1-26(22,23)7-2-3-8-11(6-7)25-16(17-8)18-14(19)12-9-4-5-10(24-9)13(12)15(20)21/h2-6,9-10,12-13H,1H3,(H,20,21)(H,17,18,19)