[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-ethylsulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-ethylsulfanylbenzoate Openeye Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-ethylsulfanylbenzoate CAS Name: 2-(ethylthio)benzoic acid [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 2-ethylsulfanylbenzoate Traditional Name: 2-(ethylthio)benzoic acid [2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)OCC(=O)NCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)OCC(=O)NCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H25NO6S/c1-5-29-18-9-7-6-8-15(18)21(24)28-13-19(23)22-12-14-10-16(25-2)20(27-4)17(11-14)26-3/h6-11H,5,12-13H2,1-4H3,(H,22,23)