(2-azanyl-1,3-benzothiazol-6-yl) ethanesulfonate

Systemtic Name: (2-azanyl-1,3-benzothiazol-6-yl) ethanesulfonate Openeye Name: (2-amino-1,3-benzothiazol-6-yl) ethanesulfonate CAS Name: ethanesulfonic acid (2-amino-1,3-benzothiazol-6-yl) ester IUPAC Name: (2-amino-1,3-benzothiazol-6-yl) ethanesulfonate Traditional Name: ethanesulfonic acid (2-amino-1,3-benzothiazol-6-yl) ester Formula: C9H10N2O3S2 MolecularWeight: 258.3173

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC2=C(C=C1)N=C(S2)N

Isomeric SMILES

CCS(=O)(=O)OC1=CC2=C(C=C1)N=C(S2)N

InChI

InChI=1S/C9H10N2O3S2/c1-2-16(12,13)14-6-3-4-7-8(5-6)15-9(10)11-7/h3-5H,2H2,1H3,(H2,10,11)