methyl 4-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[3-[2-(2-thienyl)ethynyl]phenyl]carbamoyl]benzoate CAS Name: 4-[oxo-[3-(2-thiophen-2-ylethynyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamoyl]benzoate Traditional Name: 4-[[3-[2-(2-thienyl)ethynyl]phenyl]carbamoyl]benzoic acid methyl ester Formula: C21H15NO3S MolecularWeight: 361.4137

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

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