3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 3,4-dimethoxybenzoate

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 3,4-dimethoxybenzoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 3,4-dimethoxybenzoate CAS Name: 3,4-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 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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