ethyl 2-[2-(1-adamantylcarbonyloxy)ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-adamantylcarbonyloxy)ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(oxo)methoxy]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H31NO5S/c1-4-17-13(3)30-20(19(17)21(26)28-5-2)24-18(25)12-29-22(27)23-9-14-6-15(10-23)8-16(7-14)11-23/h14-16H,4-12H2,1-3H3,(H,24,25)