methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-but-2-ynoate

Systemtic Name: methyl 4-(4-methylsulfanylphenyl)-4-oxidanylidene-but-2-ynoate Openeye Name: methyl 4-(4-methylsulfanylphenyl)-4-oxo-but-2-ynoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxo-2-butynoic acid methyl ester IUPAC Name: methyl 4-(4-methylsulfanylphenyl)-4-oxobut-2-ynoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]but-2-ynoic acid methyl ester Formula: C12H10O3S MolecularWeight: 234.271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10O3S/c1-15-12(14)8-7-11(13)9-3-5-10(16-2)6-4-9/h3-6H,1-2H3