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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] 3,4-dimethoxybenzoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O6S/c1-25(22-18-6-4-5-7-21(18)32(27,28)24-22)16-9-11-17(12-10-16)31-23(26)15-8-13-19(29-2)20(14-15)30-3/h4-14H,1-3H3