(phenylmethyl) 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoate Openeye Name: benzyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate CAS Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate Traditional Name: 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetic acid benzyl ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C16H13NO5S/c18-15(22-11-12-6-2-1-3-7-12)10-17-16(19)13-8-4-5-9-14(13)23(17,20)21/h1-9H,10-11H2