ethyl 3-[methylsulfonyl-[5-(2-phenylethynyl)furan-2-yl]carbonyl-amino]benzoate

Systemtic Name: ethyl 3-[methylsulfonyl-[5-(2-phenylethynyl)furan-2-yl]carbonyl-amino]benzoate Openeye Name: ethyl 3-[methylsulfonyl-[5-(2-phenylethynyl)furan-2-carbonyl]amino]benzoate CAS Name: 3-[methylsulfonyl-[oxo-[5-(2-phenylethynyl)-2-furanyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[methylsulfonyl-[5-(2-phenylethynyl)furan-2-carbonyl]amino]benzoate Traditional Name: 3-[mesyl-[5-(2-phenylethynyl)-2-furoyl]amino]benzoic acid ethyl ester Formula: C23H19NO6S MolecularWeight: 437.46506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC=C(O2)C#CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC=C(O2)C#CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H19NO6S/c1-3-29-23(26)18-10-7-11-19(16-18)24(31(2,27)28)22(25)21-15-14-20(30-21)13-12-17-8-5-4-6-9-17/h4-11,14-16H,3H2,1-2H3