2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]ethyl 3,5-dimethoxybenzoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-phenyl-amino]ethyl 3,5-dimethoxybenzoate Openeye Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl ester IUPAC Name: 2-(N-(1,1-dioxo-1,2-benzothiazol-3-yl)anilino)ethyl 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid 2-(N-(1,1-diketo-1,2-benzothiazol-3-yl)anilino)ethyl ester Formula: C24H22N2O6S MolecularWeight: 466.50628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCCN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCCN(C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43)OC

InChI

InChI=1S/C24H22N2O6S/c1-30-19-14-17(15-20(16-19)31-2)24(27)32-13-12-26(18-8-4-3-5-9-18)23-21-10-6-7-11-22(21)33(28,29)25-23/h3-11,14-16H,12-13H2,1-2H3