1-(3-ethanoylsulfanylpropanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate

Systemtic Name: 1-(3-ethanoylsulfanylpropanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate Openeye Name: 1-(3-acetylsulfanylpropanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate Traditional Name: 1-[3-(acetylthio)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate Formula: C14H20NO4S- MolecularWeight: 298.3779

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C2CCCCC2CC1C(=O)[O-]

Isomeric SMILES

CC(=O)SCCC(=O)N1C2CCCCC2CC1C(=O)[O-]

InChI

InChI=1S/C14H21NO4S/c1-9(16)20-7-6-13(17)15-11-5-3-2-4-10(11)8-12(15)14(18)19/h10-12H,2-8H2,1H3,(H,18,19)/p-1