ethyl 2-[3-(1-adamantylcarbonylamino)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(1-adamantylcarbonylamino)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(adamantane-1-carbonylamino)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(adamantane-1-carbonylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-(adamantane-1-carbonylamino)propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32N2O4S/c1-4-29-21(27)19-13(2)14(3)30-20(19)25-18(26)5-6-24-22(28)23-10-15-7-16(11-23)9-17(8-15)12-23/h15-17H,4-12H2,1-3H3,(H,24,28)(H,25,26)