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

Systemtic Name: methyl 3-[2-[3-(3-methylsulfanylpropanoylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(3-methylsulfanylpropanoylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[3-(methylthio)-1-oxopropyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(3-methylsulfanylpropanoylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[3-(methylthio)propanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO3S/c1-24-20(23)17-7-3-5-15(13-17)9-10-16-6-4-8-18(14-16)21-19(22)11-12-25-2/h3-8,13-14H,11-12H2,1-2H3,(H,21,22)