methyl 3-[2-[3-(2-phenylsulfanylethanoylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(2-phenylsulfanylethanoylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(2-phenylsulfanylacetyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2-phenylsulfanylacetyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(phenylthio)acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C24H19NO3S MolecularWeight: 401.47756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C24H19NO3S/c1-28-24(27)20-9-5-7-18(15-20)13-14-19-8-6-10-21(16-19)25-23(26)17-29-22-11-3-2-4-12-22/h2-12,15-16H,17H2,1H3,(H,25,26)