dimethyl 5-azanyl-3-[3-(thiophen-3-ylcarbonylamino)propanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[3-(thiophen-3-ylcarbonylamino)propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-(thiophene-3-carbonylamino)propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(thiophene-3-carbonylamino)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-(3-thenoylamino)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H18N2O7S2 MolecularWeight: 426.46402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CCNC(=O)C2=CSC=C2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CCNC(=O)C2=CSC=C2)C(=O)OC)N

InChI

InChI=1S/C17H18N2O7S2/c1-24-16(22)12-10(13(17(23)25-2)28-14(12)18)7-26-11(20)3-5-19-15(21)9-4-6-27-8-9/h4,6,8H,3,5,7,18H2,1-2H3,(H,19,21)