5-[(2-tert-butyl-1,3-benzothiazol-6-yl)sulfonyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid

Systemtic Name: 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)sulfonyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid Openeye Name: 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)sulfonyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid CAS Name: 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)sulfonyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid IUPAC Name: 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)sulfonyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid Traditional Name: 5-[(2-tert-butyl-1,3-benzothiazol-6-yl)sulfonyl]-6-methyl-1,3-benzodioxole-2-carboxylic acid Formula: C20H19NO6S2 MolecularWeight: 433.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)C3=CC4=C(C=C3)N=C(S4)C(C)(C)C)OC(O2)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)C3=CC4=C(C=C3)N=C(S4)C(C)(C)C)OC(O2)C(=O)O

InChI

InChI=1S/C20H19NO6S2/c1-10-7-13-14(27-18(26-13)17(22)23)9-16(10)29(24,25)11-5-6-12-15(8-11)28-19(21-12)20(2,3)4/h5-9,18H,1-4H3,(H,22,23)