methyl 3-(3-cyanoquinolin-4-yl)sulfanylpropanoate

Systemtic Name: methyl 3-(3-cyanoquinolin-4-yl)sulfanylpropanoate Openeye Name: methyl 3-[(3-cyano-4-quinolyl)sulfanyl]propanoate CAS Name: 3-[(3-cyano-4-quinolinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(3-cyanoquinolin-4-yl)sulfanylpropanoate Traditional Name: 3-[(3-cyano-4-quinolyl)thio]propionic acid methyl ester Formula: C14H12N2O2S MolecularWeight: 272.32228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=NC2=CC=CC=C21)C#N

Isomeric SMILES

COC(=O)CCSC1=C(C=NC2=CC=CC=C21)C#N

InChI

InChI=1S/C14H12N2O2S/c1-18-13(17)6-7-19-14-10(8-15)9-16-12-5-3-2-4-11(12)14/h2-5,9H,6-7H2,1H3