1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]cyclopentane-1-carboxylic acid

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]cyclopentane-1-carboxylic acid Openeye Name: 1-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]cyclopentanecarboxylic acid Formula: C15H18BrNO3S MolecularWeight: 372.27732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2(CCCC2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2(CCCC2)C(=O)O

InChI

InChI=1S/C15H18BrNO3S/c1-10-8-11(16)4-5-12(10)21-9-13(18)17-15(14(19)20)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)(H,19,20)