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

Systemtic Name: methyl 3-[2-[3-(thiophen-3-ylcarbonylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(thiophene-3-carbonylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo(3-thiophenyl)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(thiophene-3-carbonylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(3-thenoylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C21H15NO3S MolecularWeight: 361.4137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15NO3S/c1-25-21(24)17-6-2-4-15(12-17)8-9-16-5-3-7-19(13-16)22-20(23)18-10-11-26-14-18/h2-7,10-14H,1H3,(H,22,23)