3-(2-azanylethylsulfanylmethyl)hexane-2,5-dione

Systemtic Name: 3-(2-azanylethylsulfanylmethyl)hexane-2,5-dione Openeye Name: 3-(2-aminoethylsulfanylmethyl)hexane-2,5-dione CAS Name: 3-[(2-aminoethylthio)methyl]hexane-2,5-dione IUPAC Name: 3-(2-aminoethylsulfanylmethyl)hexane-2,5-dione Traditional Name: 3-[(2-aminoethylthio)methyl]hexane-2,5-dione Formula: C9H17NO2S MolecularWeight: 203.30178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CSCCN)C(=O)C

Isomeric SMILES

CC(=O)CC(CSCCN)C(=O)C

InChI

InChI=1S/C9H17NO2S/c1-7(11)5-9(8(2)12)6-13-4-3-10/h9H,3-6,10H2,1-2H3