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

Systemtic Name: propan-2-yl 5-(1-adamantylcarbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 5-(adamantane-1-carbonylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-(adamantane-1-carbonylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-11(2)26-19(24)17-12(3)16(10-22)18(27-17)23-20(25)21-7-13-4-14(8-21)6-15(5-13)9-21/h11,13-15H,4-9H2,1-3H3,(H,23,25)