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

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-2-(propylcarbamoyloxymethyl)pyrrolidin-3-yl] ethanethioate Openeye Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]-2-(propylcarbamoyloxymethyl)pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[5-oxo-2-[[oxo(propylamino)methoxy]methyl]-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]-2-(propylcarbamoyloxymethyl)pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-1-(4-phenoxybenzyl)-2-(propylcarbamoyloxymethyl)pyrrolidin-3-yl] ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OCC1C(CC(=O)N1CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)C

Isomeric SMILES

CCCNC(=O)OCC1C(CC(=O)N1CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)C

InChI

InChI=1S/C24H28N2O5S/c1-3-13-25-24(29)30-16-21-22(32-17(2)27)14-23(28)26(21)15-18-9-11-20(12-10-18)31-19-7-5-4-6-8-19/h4-12,21-22H,3,13-16H2,1-2H3,(H,25,29)