[2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 5-bromanylthiophene-2-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C17H19BrO3S MolecularWeight: 383.29996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C17H19BrO3S/c18-15-2-1-13(22-15)16(20)21-9-14(19)17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-12H,3-9H2