dimethyl 5-azanyl-3-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-(2-ketoazepan-1-yl)acetyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CN2CCCCCC2=O)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CN2CCCCCC2=O)C(=O)OC)N

InChI

InChI=1S/C17H22N2O7S/c1-24-16(22)13-10(14(17(23)25-2)27-15(13)18)9-26-12(21)8-19-7-5-3-4-6-11(19)20/h3-9,18H2,1-2H3