ethyl 2-azanyl-1,3-benzothiazole-6-sulfonate

Systemtic Name: ethyl 2-azanyl-1,3-benzothiazole-6-sulfonate Openeye Name: ethyl 2-amino-1,3-benzothiazole-6-sulfonate CAS Name: 2-amino-1,3-benzothiazole-6-sulfonic acid ethyl ester IUPAC Name: ethyl 2-amino-1,3-benzothiazole-6-sulfonate Traditional Name: 2-amino-1,3-benzothiazole-6-sulfonic acid ethyl ester Formula: C9H10N2O3S2 MolecularWeight: 258.3173

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N

Isomeric SMILES

CCOS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N

InChI

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