ethyl 5-(1-adamantylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-(1-adamantylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-(adamantane-1-carbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(adamantane-1-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-(adamantane-1-carbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C

InChI

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