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

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic 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:

CC(C(=O)OCC(=O)NCC1=CC(=C(C(=C1)OC)OC)OC)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC1=CC(=C(C(=C1)OC)OC)OC)SC2=CC=CC=C2

InChI

InChI=1S/C21H25NO6S/c1-14(29-16-8-6-5-7-9-16)21(24)28-13-19(23)22-12-15-10-17(25-2)20(27-4)18(11-15)26-3/h5-11,14H,12-13H2,1-4H3,(H,22,23)/t14-/m1/s1