[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] (2S)-2-phenylsulfanylpropanoate Openeye Name: [2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl] (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC(=O)[C@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4S/c1-4-24(5-2)21(26)17-10-9-11-18(14-17)23-20(25)15-28-22(27)16(3)29-19-12-7-6-8-13-19/h6-14,16H,4-5,15H2,1-3H3,(H,23,25)/t16-/m0/s1