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

Systemtic Name: methyl 5-[2-(1-adamantyl)ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C20H24N2O3S/c1-11-15(10-21)18(26-17(11)19(24)25-2)22-16(23)9-20-6-12-3-13(7-20)5-14(4-12)8-20/h12-14H,3-9H2,1-2H3,(H,22,23)