[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylate CAS Name: 3-(2-fluoro-4-methoxyphenyl)-1-adamantanecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C25H28FNO4S MolecularWeight: 457.557523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NCC5=CC=CS5)F

Isomeric SMILES

COC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NCC5=CC=CS5)F

InChI

InChI=1S/C25H28FNO4S/c1-30-18-4-5-20(21(26)8-18)24-9-16-7-17(10-24)12-25(11-16,15-24)23(29)31-14-22(28)27-13-19-3-2-6-32-19/h2-6,8,16-17H,7,9-15H2,1H3,(H,27,28)