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

Systemtic Name: ethyl 4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5S/c1-2-23-17(20)13-9-7-12(8-10-13)11-18-16(19)14-5-3-4-6-15(14)24(18,21)22/h3-10H,2,11H2,1H3