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

Systemtic Name: ethyl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-butylphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-butylphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-(4-butylphenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-butylphenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H39NO3S MolecularWeight: 493.70056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)CC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)CC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C30H39NO3S/c1-4-6-7-20-8-10-24(11-9-20)26-19(3)35-28(27(26)29(33)34-5-2)31-25(32)18-30-15-21-12-22(16-30)14-23(13-21)17-30/h8-11,21-23H,4-7,12-18H2,1-3H3,(H,31,32)