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

Systemtic Name: ethyl 2-[2-(1-adamantyl)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-adamantyl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H31NO3S MolecularWeight: 437.59424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H31NO3S/c1-3-30-25(29)23-22(20-7-5-4-6-8-20)16(2)31-24(23)27-21(28)15-26-12-17-9-18(13-26)11-19(10-17)14-26/h4-8,17-19H,3,9-15H2,1-2H3,(H,27,28)