4-(6-ethanoyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid

Systemtic Name: 4-(6-ethanoyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid Openeye Name: 4-(6-acetyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid CAS Name: 4-(6-acetyl-1,3-benzothiazol-2-yl)-2-thiophenesulfonic acid IUPAC Name: 4-(6-acetyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid Traditional Name: 4-(6-acetyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid Formula: C13H9NO4S3 MolecularWeight: 339.40986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)N=C(S2)C3=CSC(=C3)S(=O)(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)N=C(S2)C3=CSC(=C3)S(=O)(=O)O

InChI

InChI=1S/C13H9NO4S3/c1-7(15)8-2-3-10-11(4-8)20-13(14-10)9-5-12(19-6-9)21(16,17)18/h2-6H,1H3,(H,16,17,18)