1-ethanoyl-4-pent-4-ynylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-ethanoyl-4-pent-4-ynylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-acetyl-4-pent-4-ynylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-acetyl-4-(pent-4-ynylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-acetyl-4-pent-4-ynylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-acetyl-4-(pent-4-ynylthio)proline Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)O)SCCCC#C

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)O)SCCCC#C

InChI

InChI=1S/C12H17NO3S/c1-3-4-5-6-17-10-7-11(12(15)16)13(8-10)9(2)14/h1,10-11H,4-8H2,2H3,(H,15,16)