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

Systemtic Name: hexyl 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-2-3-4-7-14-26-20(23)15-10-12-16(13-11-15)21-19-17-8-5-6-9-18(17)27(24,25)22-19/h5-6,8-13H,2-4,7,14H2,1H3,(H,21,22)