(1R,2S)-1-[(5-bromanylthiophen-2-yl)methylcarbamoylamino]-2-methyl-cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-1-[(5-bromanylthiophen-2-yl)methylcarbamoylamino]-2-methyl-cyclohexane-1-carboxylate Openeye Name: (1R,2S)-1-[(5-bromo-2-thienyl)methylcarbamoylamino]-2-methyl-cyclohexanecarboxylate CAS Name: (1R,2S)-1-[[[(5-bromo-2-thiophenyl)methylamino]-oxomethyl]amino]-2-methyl-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-1-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-methylcyclohexane-1-carboxylate Traditional Name: (1R,2S)-1-[(5-bromo-2-thienyl)methylcarbamoylamino]-2-methyl-cyclohexanecarboxylate Formula: C14H18BrN2O3S- MolecularWeight: 374.27332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1(C(=O)[O-])NC(=O)NCC2=CC=C(S2)Br

Isomeric SMILES

C[C@H]1CCCC[C@@]1(C(=O)[O-])NC(=O)NCC2=CC=C(S2)Br

InChI

InChI=1S/C14H19BrN2O3S/c1-9-4-2-3-7-14(9,12(18)19)17-13(20)16-8-10-5-6-11(15)21-10/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)(H2,16,17,20)/p-1/t9-,14+/m0/s1