methyl 4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzoate

Systemtic Name: methyl 4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzoate Openeye Name: methyl 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoate CAS Name: 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzoate Traditional Name: 4-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]benzoic acid methyl ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5S/c1-22-16(19)12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)23(17,20)21/h2-9H,10H2,1H3