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

Systemtic Name: [5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]sulfanylmethyl 2,2-dimethylpropanoate Openeye Name: [5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]sulfanylmethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]thio]methyl ester IUPAC Name: [5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]sulfanylmethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [[5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl]thio]methyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCSC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)OCSC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H27NO4S/c1-23(2,3)22(26)27-16-29-20-13-21(25)24(15-20)14-17-9-11-19(12-10-17)28-18-7-5-4-6-8-18/h4-12,20H,13-16H2,1-3H3