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

Systemtic Name: 1-(2-methylsulfanylethanoylamino)cycloheptane-1-carboxylic acid Openeye Name: 1-[(2-methylsulfanylacetyl)amino]cycloheptanecarboxylic acid CAS Name: 1-[[2-(methylthio)-1-oxoethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(2-methylsulfanylacetyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[2-(methylthio)acetyl]amino]cycloheptanecarboxylic acid Formula: C11H19NO3S MolecularWeight: 245.33846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NC1(CCCCCC1)C(=O)O

Isomeric SMILES

CSCC(=O)NC1(CCCCCC1)C(=O)O

InChI

InChI=1S/C11H19NO3S/c1-16-8-9(13)12-11(10(14)15)6-4-2-3-5-7-11/h2-8H2,1H3,(H,12,13)(H,14,15)