S-methyl 2-(2-ethanoyl-3-oxidanylidene-butyl)pyrrolidine-1-carbothioate

Systemtic Name: S-methyl 2-(2-ethanoyl-3-oxidanylidene-butyl)pyrrolidine-1-carbothioate Openeye Name: S-methyl 2-(2-acetyl-3-oxo-butyl)pyrrolidine-1-carbothioate CAS Name: 2-(2-acetyl-3-oxobutyl)-1-pyrrolidinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 2-(2-acetyl-3-oxobutyl)pyrrolidine-1-carbothioate Traditional Name: 2-(2-acetyl-3-keto-butyl)pyrrolidine-1-carbothioic acid S-methyl ester Formula: C12H19NO3S MolecularWeight: 257.34916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1CCCN1C(=O)SC)C(=O)C

Isomeric SMILES

CC(=O)C(CC1CCCN1C(=O)SC)C(=O)C

InChI

InChI=1S/C12H19NO3S/c1-8(14)11(9(2)15)7-10-5-4-6-13(10)12(16)17-3/h10-11H,4-7H2,1-3H3