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

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-2-(phenylmethoxymethyl)pyrrolidin-3-yl] ethanethioate Openeye Name: S-[2-(benzyloxymethyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[5-oxo-1-[(4-phenoxyphenyl)methyl]-2-(phenylmethoxymethyl)-3-pyrrolidinyl] ester IUPAC Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]-2-(phenylmethoxymethyl)pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-(benzoxymethyl)-5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C27H27NO4S MolecularWeight: 461.57258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1COCC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1COCC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H27NO4S/c1-20(29)33-26-16-27(30)28(25(26)19-31-18-22-8-4-2-5-9-22)17-21-12-14-24(15-13-21)32-23-10-6-3-7-11-23/h2-15,25-26H,16-19H2,1H3