pentyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]benzoate

Systemtic Name: pentyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]benzoate Openeye Name: pentyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]benzoate Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]benzoic acid amyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H20N2O4S/c1-2-3-6-13-25-19(22)14-9-11-15(12-10-14)20-18-16-7-4-5-8-17(16)26(23,24)21-18/h4-5,7-12H,2-3,6,13H2,1H3,(H,20,21)