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

Systemtic Name: phenyl 2-azanyl-1,3-benzothiazole-6-sulfonate Openeye Name: phenyl 2-amino-1,3-benzothiazole-6-sulfonate CAS Name: 2-amino-1,3-benzothiazole-6-sulfonic acid phenyl ester IUPAC Name: phenyl 2-amino-1,3-benzothiazole-6-sulfonate Traditional Name: 2-amino-1,3-benzothiazole-6-sulfonic acid phenyl ester Formula: C13H10N2O3S2 MolecularWeight: 306.3601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C13H10N2O3S2/c14-13-15-11-7-6-10(8-12(11)19-13)20(16,17)18-9-4-2-1-3-5-9/h1-8H,(H2,14,15)