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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C23H27NO5S/c1-16-9-10-17(2)19(13-16)21(25)14-29-23(27)20(11-12-30-3)24-22(26)15-28-18-7-5-4-6-8-18/h4-10,13,20H,11-12,14-15H2,1-3H3,(H,24,26)