[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C18H21BrO3S MolecularWeight: 397.32654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrO3S/c19-16-2-1-15(23-16)14(20)10-22-17(21)9-18-6-11-3-12(7-18)5-13(4-11)8-18/h1-2,11-13H,3-10H2