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

Systemtic Name: methyl 4-[2-[3-(thiophen-3-ylcarbonylamino)propanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[3-(thiophene-3-carbonylamino)propanoylamino]ethyl]benzoate CAS Name: 4-[2-[[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(thiophene-3-carbonylamino)propanoylamino]ethyl]benzoate Traditional Name: 4-[2-[3-(3-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=CSC=C2

Isomeric SMILES

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

InChI

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