1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate

Systemtic Name: 1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate Openeye Name: 1-(3-acetylsulfanyl-2-methyl-propanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate CAS Name: 1-[3-(acetylthio)-2-methyl-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate IUPAC Name: 1-(3-acetylsulfanyl-2-methylpropanoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate Traditional Name: 1-[3-(acetylthio)-2-methyl-propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate Formula: C15H22NO4S- MolecularWeight: 312.40448

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1C2CCCCC2CC1C(=O)[O-]

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C2CCCCC2CC1C(=O)[O-]

InChI

InChI=1S/C15H23NO4S/c1-9(8-21-10(2)17)14(18)16-12-6-4-3-5-11(12)7-13(16)15(19)20/h9,11-13H,3-8H2,1-2H3,(H,19,20)/p-1