O-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] 2-(4-chlorophenyl)ethanethioate

Systemtic Name: O-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] 2-(4-chlorophenyl)ethanethioate Openeye Name: O-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] 2-(4-chlorophenyl)ethanethioate CAS Name: 2-(4-chlorophenyl)ethanethioic acid O-[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: O-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] 2-(4-chlorophenyl)ethanethioate Traditional Name: 2-(4-chlorophenyl)ethanethioic acid O-[5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C25H22ClNO3S MolecularWeight: 451.96508

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)OC(=S)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C(CN(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)OC(=S)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22ClNO3S/c26-20-10-6-18(7-11-20)14-25(31)30-23-15-24(28)27(17-23)16-19-8-12-22(13-9-19)29-21-4-2-1-3-5-21/h1-13,23H,14-17H2