S-[[4-methyl-1-(3-methylbut-2-enoyl)pyrrolidin-3-yl]methyl] ethanethioate

Systemtic Name: S-[[4-methyl-1-(3-methylbut-2-enoyl)pyrrolidin-3-yl]methyl] ethanethioate Openeye Name: S-[[4-methyl-1-(3-methylbut-2-enoyl)pyrrolidin-3-yl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[4-methyl-1-(3-methyl-1-oxobut-2-enyl)-3-pyrrolidinyl]methyl] ester IUPAC Name: S-[[4-methyl-1-(3-methylbut-2-enoyl)pyrrolidin-3-yl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[[4-methyl-1-(3-methylbut-2-enoyl)pyrrolidin-3-yl]methyl] ester Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1CSC(=O)C)C(=O)C=C(C)C

Isomeric SMILES

CC1CN(CC1CSC(=O)C)C(=O)C=C(C)C

InChI

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