[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate Openeye Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C20H20N2O5S/c1-22(11-17-21-13-7-4-5-10-16(13)28-17)18(23)12-27-20(24)19-14(25-2)8-6-9-15(19)26-3/h4-10H,11-12H2,1-3H3