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

Systemtic Name: butyl 4-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methylamino]benzoate Openeye Name: butyl 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylamino]benzoate CAS Name: 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methylamino]benzoate Traditional Name: 4-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methylamino]benzoic acid butyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C19H20N2O5S/c1-2-3-12-26-19(23)14-8-10-15(11-9-14)20-13-21-18(22)16-6-4-5-7-17(16)27(21,24)25/h4-11,20H,2-3,12-13H2,1H3