propan-2-yl 2-(1-adamantylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-(1-adamantylcarbonylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-(adamantane-1-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(adamantane-1-carbonylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4,5-dimethyl-thiophene-3-carboxylic acid isopropyl ester Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO3S/c1-11(2)25-19(23)17-12(3)13(4)26-18(17)22-20(24)21-8-14-5-15(9-21)7-16(6-14)10-21/h11,14-16H,5-10H2,1-4H3,(H,22,24)