propan-2-yl 2-(1-adamantylcarbamoylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-(1-adamantylcarbamoylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-(1-adamantylcarbamoylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(1-adamantylcarbamoylamino)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(1-adamantylcarbamoylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)N(C)C

InChI

InChI=1S/C23H33N3O4S/c1-12(2)30-21(28)17-13(3)18(20(27)26(4)5)31-19(17)24-22(29)25-23-9-14-6-15(10-23)8-16(7-14)11-23/h12,14-16H,6-11H2,1-5H3,(H2,24,25,29)