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

Systemtic Name: 2-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]pentanethioate Openeye Name: 2-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]pentanethioate CAS Name: 2-[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]pentanethioate IUPAC Name: 2-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]pentanethioate Traditional Name: 2-[5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl]thiovalerate Formula: C22H24NO3S- MolecularWeight: 382.49586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=S)[O-]

Isomeric SMILES

CCCC(C1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=S)[O-]

InChI

InChI=1S/C22H25NO3S/c1-2-6-20(22(25)27)17-13-21(24)23(15-17)14-16-9-11-19(12-10-16)26-18-7-4-3-5-8-18/h3-5,7-12,17,20H,2,6,13-15H2,1H3,(H,25,27)/p-1