S-[5-oxidanylidene-1-[[4-(phenoxymethyl)phenyl]methyl]pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[5-oxidanylidene-1-[[4-(phenoxymethyl)phenyl]methyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[5-oxo-1-[[4-(phenoxymethyl)phenyl]methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[5-oxo-1-[[4-(phenoxymethyl)phenyl]methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[5-oxo-1-[[4-(phenoxymethyl)phenyl]methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-1-[4-(phenoxymethyl)benzyl]pyrrolidin-3-yl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)COC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)COC3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S/c1-15(22)25-19-11-20(23)21(13-19)12-16-7-9-17(10-8-16)14-24-18-5-3-2-4-6-18/h2-10,19H,11-14H2,1H3