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

Systemtic Name: ethyl 2-(1-adamantylcarbonylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylamino)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-5-28-20(26)16-12(2)17(19(25)24(3)4)29-18(16)23-21(27)22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,5-11H2,1-4H3,(H,23,27)