(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C18H21BrO3S MolecularWeight: 397.32654

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C18H21BrO3S/c19-18-7-12-4-13(8-18)6-17(5-12,11-18)9-16(21)22-10-14(20)15-2-1-3-23-15/h1-3,12-13H,4-11H2/t12-,13+,17?,18?