methyl 4-[3-(4-methylsulfanylphenyl)prop-2-ynoyl]benzoate

Systemtic Name: methyl 4-[3-(4-methylsulfanylphenyl)prop-2-ynoyl]benzoate Openeye Name: methyl 4-[3-(4-methylsulfanylphenyl)prop-2-ynoyl]benzoate CAS Name: 4-[3-[4-(methylthio)phenyl]-1-oxoprop-2-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-methylsulfanylphenyl)prop-2-ynoyl]benzoate Traditional Name: 4-[3-[4-(methylthio)phenyl]propioloyl]benzoic acid methyl ester Formula: C18H14O3S MolecularWeight: 310.36696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)C#CC2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)C#CC2=CC=C(C=C2)SC

InChI

InChI=1S/C18H14O3S/c1-21-18(20)15-8-6-14(7-9-15)17(19)12-5-13-3-10-16(22-2)11-4-13/h3-4,6-11H,1-2H3