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

Systemtic Name: dimethyl 5-[2-(1-adamantylcarbonyloxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[1-adamantyl(oxo)methoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(adamantane-1-carbonyloxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H27NO7S MolecularWeight: 449.51728

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7S/c1-11-16(19(25)28-2)18(31-17(11)20(26)29-3)23-15(24)10-30-21(27)22-7-12-4-13(8-22)6-14(5-12)9-22/h12-14H,4-10H2,1-3H3,(H,23,24)