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

Systemtic Name: 2-methyl-1-(3-sulfanylpropanoyl)-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid Openeye Name: 2-methyl-1-(3-sulfanylpropanoyl)-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid CAS Name: 1-(3-mercapto-1-oxopropyl)-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid IUPAC Name: 2-methyl-1-(3-sulfanylpropanoyl)-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid Traditional Name: 1-(3-mercaptopropanoyl)-2-methyl-3a,4,5,6,7,7a-hexahydro-3H-indole-2-carboxylic acid Formula: C13H21NO3S MolecularWeight: 271.37574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CCCCC2N1C(=O)CCS)C(=O)O

Isomeric SMILES

CC1(CC2CCCCC2N1C(=O)CCS)C(=O)O

InChI

InChI=1S/C13H21NO3S/c1-13(12(16)17)8-9-4-2-3-5-10(9)14(13)11(15)6-7-18/h9-10,18H,2-8H2,1H3,(H,16,17)