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

Systemtic Name: methyl 5-(1-adamantylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 5-(adamantane-1-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-(adamantane-1-carbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C19H22N2O3S/c1-10-14(9-20)16(25-15(10)17(22)24-2)21-18(23)19-6-11-3-12(7-19)5-13(4-11)8-19/h11-13H,3-8H2,1-2H3,(H,21,23)