[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] (2R)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=CC=C1C#N)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NC1=CC=CC=C1C#N)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H23N3O5S/c1-31-12-11-19(25-20(26)14-29-17-8-3-2-4-9-17)22(28)30-15-21(27)24-18-10-6-5-7-16(18)13-23/h2-10,19H,11-12,14-15H2,1H3,(H,24,27)(H,25,26)/t19-/m1/s1