methyl 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C17H22BrNO3S MolecularWeight: 400.33048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2(CCCCC2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2(CCCCC2)C(=O)OC

InChI

InChI=1S/C17H22BrNO3S/c1-12-10-13(18)6-7-14(12)23-11-15(20)19-17(16(21)22-2)8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,20)