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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 3,5-dimethoxybenzoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl ester IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32)OC

InChI

InChI=1S/C19H20N2O6S/c1-25-14-10-13(11-15(12-14)26-2)19(22)27-9-5-8-20-18-16-6-3-4-7-17(16)28(23,24)21-18/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,20,21)