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

Systemtic Name: methyl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-butylphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C29H37NO3S MolecularWeight: 479.67398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO3S/c1-4-5-6-19-7-9-23(10-8-19)25-18(2)34-27(26(25)28(32)33-3)30-24(31)17-29-14-20-11-21(15-29)13-22(12-20)16-29/h7-10,20-22H,4-6,11-17H2,1-3H3,(H,30,31)