[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H22FNO3S MolecularWeight: 387.467683

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=C(S4)C=CC(=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC5=C(S4)C=CC(=C5)F

InChI

InChI=1S/C21H22FNO3S/c22-16-1-2-17-15(6-16)7-18(27-17)20(25)26-11-19(24)23-21-8-12-3-13(9-21)5-14(4-12)10-21/h1-2,6-7,12-14H,3-5,8-11H2,(H,23,24)