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

Systemtic Name: propyl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-fluorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C27H32FNO3S MolecularWeight: 469.611283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32FNO3S/c1-3-8-32-26(31)24-23(20-4-6-21(28)7-5-20)16(2)33-25(24)29-22(30)15-27-12-17-9-18(13-27)11-19(10-17)14-27/h4-7,17-19H,3,8-15H2,1-2H3,(H,29,30)