1-(2-butylsulfanylethanoylamino)cycloheptane-1-carboxylic acid

Systemtic Name: 1-(2-butylsulfanylethanoylamino)cycloheptane-1-carboxylic acid Openeye Name: 1-[(2-butylsulfanylacetyl)amino]cycloheptanecarboxylic acid CAS Name: 1-[[2-(butylthio)-1-oxoethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(2-butylsulfanylacetyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[2-(butylthio)acetyl]amino]cycloheptanecarboxylic acid Formula: C14H25NO3S MolecularWeight: 287.4182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1(CCCCCC1)C(=O)O

Isomeric SMILES

CCCCSCC(=O)NC1(CCCCCC1)C(=O)O

InChI

InChI=1S/C14H25NO3S/c1-2-3-10-19-11-12(16)15-14(13(17)18)8-6-4-5-7-9-14/h2-11H2,1H3,(H,15,16)(H,17,18)