methyl 3-[1-(3-cyanophenyl)-3-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-(3-cyanophenyl)-3-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[1-[(3-cyanophenyl)methyl]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(3-cyanophenyl)-3-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(3-cyanophenyl)-3-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[1-(3-cyanobenzyl)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(CC1=CC=CC(=C1)C#N)C=O

Isomeric SMILES

COC(=O)CCSC(CC1=CC=CC(=C1)C#N)C=O

InChI

InChI=1S/C14H15NO3S/c1-18-14(17)5-6-19-13(10-16)8-11-3-2-4-12(7-11)9-15/h2-4,7,10,13H,5-6,8H2,1H3