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

Systemtic Name: ethyl 2-[2-(1-adamantyl)ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H31NO3S/c1-4-17-13(3)27-20(19(17)21(25)26-5-2)23-18(24)12-22-9-14-6-15(10-22)8-16(7-14)11-22/h14-16H,4-12H2,1-3H3,(H,23,24)