ethyl 2-[2-(1-adamantylcarbonyloxy)ethanoylamino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantylcarbonyloxy)ethanoylamino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-5-methyl-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(oxo)methoxy]-1-oxoethyl]amino]-5-methyl-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-5-methyl-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H33NO5S MolecularWeight: 495.63032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H33NO5S/c1-4-33-26(31)24-23(21-7-5-16(2)6-8-21)17(3)35-25(24)29-22(30)15-34-27(32)28-12-18-9-19(13-28)11-20(10-18)14-28/h5-8,18-20H,4,9-15H2,1-3H3,(H,29,30)