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

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C20H24BrNO4S MolecularWeight: 454.37786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO4S/c21-17-2-1-16(27-17)15(23)11-26-19(25)10-22-18(24)9-20-6-12-3-13(7-20)5-14(4-12)8-20/h1-2,12-14H,3-11H2,(H,22,24)