[2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(3-chlorophenyl)methylthio]acetic acid [2-oxo-2-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethyl] ester IUPAC Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(3-chlorobenzyl)thio]acetic acid [2-keto-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)COC(=O)CSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)COC(=O)CSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN2O4S/c21-16-5-3-4-14(8-16)12-28-13-19(25)27-11-18(24)15-9-17(22-10-15)20(26)23-6-1-2-7-23/h3-5,8-10,22H,1-2,6-7,11-13H2