[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C17H23BrO3S MolecularWeight: 387.33172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)C2=CC=C(S2)Br

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C17H23BrO3S/c1-17(2,3)12-6-4-11(5-7-12)16(20)21-10-13(19)14-8-9-15(18)22-14/h8-9,11-12H,4-7,10H2,1-3H3