ethyl 2-[3-(1-adamantylcarbonylamino)propanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(1-adamantylcarbonylamino)propanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(adamantane-1-carbonylamino)propanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(adamantane-1-carbonylamino)propanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[3-(adamantane-1-carbonylamino)propanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCC

InChI

InChI=1S/C23H32N2O4S/c1-3-17-10-18(21(27)29-4-2)20(30-17)25-19(26)5-6-24-22(28)23-11-14-7-15(12-23)9-16(8-14)13-23/h10,14-16H,3-9,11-13H2,1-2H3,(H,24,28)(H,25,26)