ethyl 2-(1-adamantylcarbonylamino)-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-(adamantane-1-carbonylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[1-adamantyl(oxo)methyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-(adamantane-1-carbonylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-(adamantane-1-carbonylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO4S/c1-4-26-19(24)16-11(2)17(12(3)23)27-18(16)22-20(25)21-8-13-5-14(9-21)7-15(6-13)10-21/h13-15H,4-10H2,1-3H3,(H,22,25)