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

Systemtic Name: methyl 1-[2-(4-bromophenyl)sulfanylethanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[2-(4-bromophenyl)sulfanylacetyl]amino]cyclohexanecarboxylate CAS Name: 1-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[2-(4-bromophenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[2-[(4-bromophenyl)thio]acetyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C16H20BrNO3S MolecularWeight: 386.3039

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H20BrNO3S/c1-21-15(20)16(9-3-2-4-10-16)18-14(19)11-22-13-7-5-12(17)6-8-13/h5-8H,2-4,9-11H2,1H3,(H,18,19)