[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C19H22N2O5S MolecularWeight: 390.45338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC=CN1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)C1=CC=CN1)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O5S/c1-27-11-9-16(19(24)26-12-17(22)15-8-5-10-20-15)21-18(23)13-25-14-6-3-2-4-7-14/h2-8,10,16,20H,9,11-13H2,1H3,(H,21,23)