[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C23H27NO7S MolecularWeight: 461.52798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C23H27NO7S/c1-28-17-9-10-21(29-2)18(13-17)20(25)14-31-23(27)19(11-12-32-3)24-22(26)15-30-16-7-5-4-6-8-16/h4-10,13,19H,11-12,14-15H2,1-3H3,(H,24,26)/t19-/m0/s1