[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (2R)-2-(p-tolylsulfanyl)propanoate CAS Name: (2R)-2-[(4-methylphenyl)thio]propanoic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Traditional Name: (2R)-2-(p-tolylthio)propionic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C22H26N2O3S/c1-16-5-11-20(12-6-16)28-17(2)22(26)27-15-21(25)23-18-7-9-19(10-8-18)24-13-3-4-14-24/h5-12,17H,3-4,13-15H2,1-2H3,(H,23,25)/t17-/m1/s1