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

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] benzenecarbothioate Openeye Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C24H21NO3S MolecularWeight: 403.49344

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H21NO3S/c26-23-15-22(29-24(27)19-7-3-1-4-8-19)17-25(23)16-18-11-13-21(14-12-18)28-20-9-5-2-6-10-20/h1-14,22H,15-17H2