methyl 2-[2-(1-adamantylcarbonyloxy)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(1-adamantylcarbonyloxy)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(oxo)methoxy]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO5S/c1-11-12(2)28-18(17(11)19(24)26-3)22-16(23)10-27-20(25)21-7-13-4-14(8-21)6-15(5-13)9-21/h13-15H,4-10H2,1-3H3,(H,22,23)