propan-2-yl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid isopropyl ester Formula: C26H30FNO3S MolecularWeight: 455.584703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)OC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H30FNO3S/c1-15(2)31-25(30)23-21(19-3-5-20(27)6-4-19)14-32-24(23)28-22(29)13-26-10-16-7-17(11-26)9-18(8-16)12-26/h3-6,14-18H,7-13H2,1-2H3,(H,28,29)