[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-14(27-21(24)15(2)28-17-8-6-5-7-9-17)20(23)22-13-16-10-11-18(25-3)19(12-16)26-4/h5-12,14-15H,13H2,1-4H3,(H,22,23)/t14-,15+/m1/s1