[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)OC)OC

InChI

InChI=1S/C20H20N2O6S/c1-25-15-8-17(27-3)16(26-2)6-13(15)9-21-19(23)10-28-20(24)12-4-5-14-18(7-12)29-11-22-14/h4-8,11H,9-10H2,1-3H3,(H,21,23)