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

Systemtic Name: methyl 3-[2-[3-[3-(thiophen-3-ylcarbonylamino)propanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[3-(thiophene-3-carbonylamino)propanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[3-(3-thenoylamino)propanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCNC(=O)C3=CSC=C3

InChI

InChI=1S/C24H20N2O4S/c1-30-24(29)19-6-2-4-17(14-19)8-9-18-5-3-7-21(15-18)26-22(27)10-12-25-23(28)20-11-13-31-16-20/h2-7,11,13-16H,10,12H2,1H3,(H,25,28)(H,26,27)