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

Systemtic Name: S-[(2S,3S)-2-methyl-5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[(2S,3S)-2-methyl-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[(2S,3S)-2-methyl-5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[(2S,3S)-2-methyl-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[(2S,3S)-5-keto-2-methyl-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1[C@H](CC(=O)N1CC2=CC=C(C=C2)OC3=CC=CC=C3)SC(=O)C

InChI

InChI=1S/C20H21NO3S/c1-14-19(25-15(2)22)12-20(23)21(14)13-16-8-10-18(11-9-16)24-17-6-4-3-5-7-17/h3-11,14,19H,12-13H2,1-2H3/t14-,19-/m0/s1