2-(1-cyclopropylethyl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(1-cyclopropylethyl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 2-(1-cyclopropylethyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid CAS Name: 2-(1-cyclopropylethyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 2-(1-cyclopropylethyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid Traditional Name: 2-(1-cyclopropylethyl)-1,1,3-triketo-1,2-benzothiazole-6-carboxylic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

Isomeric SMILES

CC(C1CC1)N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C13H13NO5S/c1-7(8-2-3-8)14-12(15)10-5-4-9(13(16)17)6-11(10)20(14,18)19/h4-8H,2-3H2,1H3,(H,16,17)