dimethyl 5-azanyl-3-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[(5S,7R)-3-hydroxy-1-adamantyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C23CC4CC(C2)CC(C4)(C3)O)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C(=O)OC)N

InChI

InChI=1S/C20H25NO7S/c1-26-16(22)13-12(14(17(23)27-2)29-15(13)21)8-28-18(24)19-4-10-3-11(5-19)7-20(25,6-10)9-19/h10-11,25H,3-9,21H2,1-2H3/t10-,11+,19?,20?