[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H28N2O4S/c1-3-16-12(2)4-17(28-16)19(25)27-11-18(24)22-20(26)23-21-8-13-5-14(9-21)7-15(6-13)10-21/h4,13-15H,3,5-11H2,1-2H3,(H2,22,23,24,26)