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1-(3-ethanoylsulfanylpropanoyl)-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid

1-(3-ethanoylsulfanylpropanoyl)-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid

Systemtic Name:1-(3-ethanoylsulfanylpropanoyl)-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid
Openeye Name:1-(3-acetylsulfanylpropanoyl)-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid
CAS Name:1-[3-(acetylthio)-1-oxopropyl]-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid
IUPAC Name:1-(3-acetylsulfanylpropanoyl)-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid
Traditional Name:1-[3-(acetylthio)propanoyl]-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid
Formula: C15H23NO4S
MolecularWeight: 313.41242
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C2CCCCC2CC1(C)C(=O)O


Isomeric SMILES

CC(=O)SCCC(=O)N1C2CCCCC2CC1(C)C(=O)O


InChI

InChI=1S/C15H23NO4S/c1-10(17)21-8-7-13(18)16-12-6-4-3-5-11(12)9-15(16,2)14(19)20/h11-12H,3-9H2,1-2H3,(H,19,20)


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