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

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] 2,2-diphenylethanethioate Openeye Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] 2,2-diphenylethanethioate CAS Name: 2,2-diphenylethanethioic acid S-[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] 2,2-diphenylethanethioate Traditional Name: 2,2-diphenylethanethioic acid S-[5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C31H27NO3S MolecularWeight: 493.61598

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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)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(CN(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27NO3S/c33-29-20-28(36-31(34)30(24-10-4-1-5-11-24)25-12-6-2-7-13-25)22-32(29)21-23-16-18-27(19-17-23)35-26-14-8-3-9-15-26/h1-19,28,30H,20-22H2