ethyl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H30FNO3S MolecularWeight: 455.584703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30FNO3S/c1-3-31-25(30)23-22(19-4-6-20(27)7-5-19)15(2)32-24(23)28-21(29)14-26-11-16-8-17(12-26)10-18(9-16)13-26/h4-7,16-18H,3,8-14H2,1-2H3,(H,28,29)