methyl 4-[[3-(thiophen-2-ylcarbonylamino)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(thiophen-2-ylcarbonylamino)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(thiophene-2-carbonylamino)propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(thiophene-2-carbonylamino)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(2-thenoylamino)propanoylamino]methyl]benzoic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCNC(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCNC(=O)C2=CC=CS2

InChI

InChI=1S/C17H18N2O4S/c1-23-17(22)13-6-4-12(5-7-13)11-19-15(20)8-9-18-16(21)14-3-2-10-24-14/h2-7,10H,8-9,11H2,1H3,(H,18,21)(H,19,20)