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

Systemtic Name: methyl 4-[[3-(thiophen-3-ylcarbonylamino)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(thiophene-3-carbonylamino)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(3-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=CSC=C2

Isomeric SMILES

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

InChI

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