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

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)N(C)C

InChI

InChI=1S/C21H28N2O4S/c1-11-15(19(25)27-4)17(28-16(11)18(24)23(2)3)22-20(26)21-8-12-5-13(9-21)7-14(6-12)10-21/h12-14H,5-10H2,1-4H3,(H,22,26)