(3-methoxyphenyl) 2-azanyl-1,3-benzothiazole-6-sulfonate

Systemtic Name: (3-methoxyphenyl) 2-azanyl-1,3-benzothiazole-6-sulfonate Openeye Name: (3-methoxyphenyl) 2-amino-1,3-benzothiazole-6-sulfonate CAS Name: 2-amino-1,3-benzothiazole-6-sulfonic acid (3-methoxyphenyl) ester IUPAC Name: (3-methoxyphenyl) 2-amino-1,3-benzothiazole-6-sulfonate Traditional Name: 2-amino-1,3-benzothiazole-6-sulfonic acid (3-methoxyphenyl) ester Formula: C14H12N2O4S2 MolecularWeight: 336.38608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

COC1=CC(=CC=C1)OS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C14H12N2O4S2/c1-19-9-3-2-4-10(7-9)20-22(17,18)11-5-6-12-13(8-11)21-14(15)16-12/h2-8H,1H3,(H2,15,16)