propan-2-yl 2-(1-adamantylcarbonylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-(1-adamantylcarbonylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-(adamantane-1-carbonylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(adamantane-1-carbonylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C25H36N2O4S MolecularWeight: 460.62934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC(C)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC(C)C)C

InChI

InChI=1S/C25H36N2O4S/c1-6-27(7-2)22(28)20-15(5)19(23(29)31-14(3)4)21(32-20)26-24(30)25-11-16-8-17(12-25)10-18(9-16)13-25/h14,16-18H,6-13H2,1-5H3,(H,26,30)