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

Systemtic Name: methyl 4-[2-[3-(thiophen-2-ylcarbonylamino)propanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[3-(thiophene-2-carbonylamino)propanoylamino]ethyl]benzoate CAS Name: 4-[2-[[1-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]propyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(thiophene-2-carbonylamino)propanoylamino]ethyl]benzoate Traditional Name: 4-[2-[3-(2-thenoylamino)propanoylamino]ethyl]benzoic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-24-18(23)14-6-4-13(5-7-14)8-10-19-16(21)9-11-20-17(22)15-3-2-12-25-15/h2-7,12H,8-11H2,1H3,(H,19,21)(H,20,22)