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

Systemtic Name: S-[2-(hydroxymethyl)-5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[2-(hydroxymethyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[2-(hydroxymethyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[2-(hydroxymethyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-2-methylol-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C20H21NO4S MolecularWeight: 371.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1CO)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1CO)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21NO4S/c1-14(23)26-19-11-20(24)21(18(19)13-22)12-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16/h2-10,18-19,22H,11-13H2,1H3