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

Systemtic Name: S-[2-(2-methylpropyl)-5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[2-isobutyl-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[2-(2-methylpropyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[2-(2-methylpropyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-isobutyl-5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(CC(=O)N1CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)C

Isomeric SMILES

CC(C)CC1C(CC(=O)N1CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)C

InChI

InChI=1S/C23H27NO3S/c1-16(2)13-21-22(28-17(3)25)14-23(26)24(21)15-18-9-11-20(12-10-18)27-19-7-5-4-6-8-19/h4-12,16,21-22H,13-15H2,1-3H3