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

Systemtic Name: methyl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-ethylphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-ethylphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-(4-ethylphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-ethylphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-ethylphenyl)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C27H33NO3S/c1-4-17-5-7-21(8-6-17)23-16(2)32-25(24(23)26(30)31-3)28-22(29)15-27-12-18-9-19(13-27)11-20(10-18)14-27/h5-8,18-20H,4,9-15H2,1-3H3,(H,28,29)