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

Systemtic Name: propan-2-yl 2-(1-adamantylcarbonylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-(adamantane-1-carbonylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(adamantane-1-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H31NO3S/c1-5-17-13(4)27-19(18(17)20(24)26-12(2)3)23-21(25)22-9-14-6-15(10-22)8-16(7-14)11-22/h12,14-16H,5-11H2,1-4H3,(H,23,25)