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

Systemtic Name: methyl 2-[2-(2-adamantylcarbonyloxy)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(adamantane-2-carbonyloxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[2-adamantyl(oxo)methoxy]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(adamantane-2-carbonyloxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(adamantane-2-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)C2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C21H27NO5S/c1-10-11(2)28-19(17(10)20(24)26-3)22-16(23)9-27-21(25)18-14-5-12-4-13(7-14)8-15(18)6-12/h12-15,18H,4-9H2,1-3H3,(H,22,23)