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

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenethylphenyl)methyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[5-oxo-1-[(4-phenethylphenyl)methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[5-oxo-1-[(4-phenethylphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[5-oxo-1-[(4-phenethylphenyl)methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-1-(4-phenethylbenzyl)pyrrolidin-3-yl] ester Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO2S/c1-16(23)25-20-13-21(24)22(15-20)14-19-11-9-18(10-12-19)8-7-17-5-3-2-4-6-17/h2-6,9-12,20H,7-8,13-15H2,1H3