[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(3-chlorophenyl)methylthio]acetic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(3-chlorobenzyl)thio]acetic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2O3S/c22-17-5-3-4-16(12-17)14-28-15-21(26)27-13-20(25)23-18-6-8-19(9-7-18)24-10-1-2-11-24/h3-9,12H,1-2,10-11,13-15H2,(H,23,25)