methyl 3-[[4-(2-phenylethynyl)phenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(2-phenylethynyl)phenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(2-phenylethynyl)benzoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[4-(2-phenylethynyl)phenyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2-phenylethynyl)benzoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(2-phenylethynyl)benzoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H15NO3S MolecularWeight: 361.4137

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

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