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

Systemtic Name: ethyl 5-[2-(1-adamantyl)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(1-adamantyl)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1-adamantyl)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(1-adamantyl)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC23CC4CC(C2)CC(C4)C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC23CC4CC(C2)CC(C4)C3)C#N)C

InChI

InChI=1S/C21H26N2O3S/c1-3-26-20(25)18-12(2)16(11-22)19(27-18)23-17(24)10-21-7-13-4-14(8-21)6-15(5-13)9-21/h13-15H,3-10H2,1-2H3,(H,23,24)