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

Systemtic Name: propyl 2-[2-(1-adamantyl)ethanoylamino]-4-(4-tert-butylphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-tert-butylphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-(4-tert-butylphenyl)-5-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-tert-butylphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-4-(4-tert-butylphenyl)-5-methyl-thiophene-3-carboxylic acid propyl ester Formula: C31H41NO3S MolecularWeight: 507.72714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41NO3S/c1-6-11-35-29(34)27-26(23-7-9-24(10-8-23)30(3,4)5)19(2)36-28(27)32-25(33)18-31-15-20-12-21(16-31)14-22(13-20)17-31/h7-10,20-22H,6,11-18H2,1-5H3,(H,32,33)