S-[(2R,3S)-2-(oxan-2-yloxymethyl)-5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[(2R,3S)-2-(oxan-2-yloxymethyl)-5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[(2R,3S)-5-oxo-1-[(4-phenoxyphenyl)methyl]-2-(tetrahydropyran-2-yloxymethyl)pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[(2R,3S)-2-(2-oxanyloxymethyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[(2R,3S)-2-(oxan-2-yloxymethyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[(2R,3S)-5-keto-1-(4-phenoxybenzyl)-2-(tetrahydropyran-2-yloxymethyl)pyrrolidin-3-yl] ester Formula: C25H29NO5S MolecularWeight: 455.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1COC2CCCCO2)CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(=O)S[C@H]1CC(=O)N([C@@H]1COC2CCCCO2)CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H29NO5S/c1-18(27)32-23-15-24(28)26(22(23)17-30-25-9-5-6-14-29-25)16-19-10-12-21(13-11-19)31-20-7-3-2-4-8-20/h2-4,7-8,10-13,22-23,25H,5-6,9,14-17H2,1H3/t22-,23+,25?/m1/s1