S-[[(3R,4S)-5-oxidanylidene-4-propan-2-yl-1-prop-2-enyl-pyrrolidin-3-yl]methyl] ethanethioate

Systemtic Name: S-[[(3R,4S)-5-oxidanylidene-4-propan-2-yl-1-prop-2-enyl-pyrrolidin-3-yl]methyl] ethanethioate Openeye Name: S-[[(3R,4S)-1-allyl-4-isopropyl-5-oxo-pyrrolidin-3-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[(3R,4S)-5-oxo-4-propan-2-yl-1-prop-2-enyl-3-pyrrolidinyl]methyl] ester IUPAC Name: S-[[(3R,4S)-5-oxo-4-propan-2-yl-1-prop-2-enylpyrrolidin-3-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[(3R,4S)-1-allyl-4-isopropyl-5-keto-pyrrolidin-3-yl]methyl] ester Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(CN(C1=O)CC=C)CSC(=O)C

Isomeric SMILES

CC(C)[C@H]1[C@H](CN(C1=O)CC=C)CSC(=O)C

InChI

InChI=1S/C13H21NO2S/c1-5-6-14-7-11(8-17-10(4)15)12(9(2)3)13(14)16/h5,9,11-12H,1,6-8H2,2-4H3/t11-,12+/m1/s1