[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H20N2O4S/c1-14(21(26)23-17-7-3-15(13-22)4-8-17)27-20(25)12-11-19(24)16-5-9-18(28-2)10-6-16/h3-10,14H,11-12H2,1-2H3,(H,23,26)/t14-/m0/s1