ethyl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-tert-butylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-tert-butylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-tert-butylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-(4-tert-butylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-tert-butylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-tert-butylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C29H37NO3S MolecularWeight: 479.67398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO3S/c1-5-33-27(32)25-23(21-6-8-22(9-7-21)28(2,3)4)17-34-26(25)30-24(31)16-29-13-18-10-19(14-29)12-20(11-18)15-29/h6-9,17-20H,5,10-16H2,1-4H3,(H,30,31)