[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic 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)CSCC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-17-4-6-18(7-5-17)15-28-16-22(26)27-14-21(25)23-19-8-10-20(11-9-19)24-12-2-3-13-24/h4-11H,2-3,12-16H2,1H3,(H,23,25)