methyl 1-[(5-bromanylthiophen-2-yl)carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(5-bromanylthiophen-2-yl)carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(5-bromothiophene-2-carbonyl)amino]cyclohexanecarboxylate CAS Name: 1-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(5-bromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylate Traditional Name: 1-[(5-bromothiophene-2-carbonyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=CC=C(S2)Br

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C13H16BrNO3S/c1-18-12(17)13(7-3-2-4-8-13)15-11(16)9-5-6-10(14)19-9/h5-6H,2-4,7-8H2,1H3,(H,15,16)