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

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H29NO3S/c1-4-16-12(3)26-18(17(16)19(23)25-5-2)22-20(24)21-9-13-6-14(10-21)8-15(7-13)11-21/h13-15H,4-11H2,1-3H3,(H,22,24)