[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O5S/c1-15-12-18(16(2)24(15)3)20(25)13-29-22(27)19(10-11-30-4)23-21(26)14-28-17-8-6-5-7-9-17/h5-9,12,19H,10-11,13-14H2,1-4H3,(H,23,26)