(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl benzenesulfonate

Systemtic Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl benzenesulfonate Openeye Name: (2-thioxo-1,3-benzothiazol-3-yl)methyl benzenesulfonate CAS Name: benzenesulfonic acid (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl ester IUPAC Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl benzenesulfonate Traditional Name: benzenesulfonic acid (2-thioxo-1,3-benzothiazol-3-yl)methyl ester Formula: C14H11NO3S3 MolecularWeight: 337.43704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OCN2C3=CC=CC=C3SC2=S

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OCN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C14H11NO3S3/c16-21(17,11-6-2-1-3-7-11)18-10-15-12-8-4-5-9-13(12)20-14(15)19/h1-9H,10H2