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

Systemtic Name: dimethyl 3-methyl-5-[2-[(3-oxidanyl-1-adamantyl)carbonyloxy]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(3-hydroxy-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H27NO8S MolecularWeight: 465.51668

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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)O)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO8S/c1-11-15(18(25)29-2)17(32-16(11)19(26)30-3)23-14(24)9-31-20(27)21-5-12-4-13(6-21)8-22(28,7-12)10-21/h12-13,28H,4-10H2,1-3H3,(H,23,24)