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

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] 2-phenylethanethioate Openeye Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)CC4=CC=CC=C4

Isomeric SMILES

C1C(CN(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H23NO3S/c27-24-16-23(30-25(28)15-19-7-3-1-4-8-19)18-26(24)17-20-11-13-22(14-12-20)29-21-9-5-2-6-10-21/h1-14,23H,15-18H2