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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)C1=CC(=C(C=C1)OC)OC)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CN(CCOC(=O)C1=CC(=C(C=C1)OC)OC)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H20N2O6S/c1-21(18-14-6-4-5-7-17(14)28(23,24)20-18)10-11-27-19(22)13-8-9-15(25-2)16(12-13)26-3/h4-9,12H,10-11H2,1-3H3