propan-2-yl 2-(3-cyano-8-methyl-quinolin-2-yl)sulfanylethanoate

Systemtic Name: propan-2-yl 2-(3-cyano-8-methyl-quinolin-2-yl)sulfanylethanoate Openeye Name: isopropyl 2-[(3-cyano-8-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-8-methyl-2-quinolinyl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-cyano-8-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-8-methyl-2-quinolyl)thio]acetic acid isopropyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)OC(C)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)OC(C)C

InChI

InChI=1S/C16H16N2O2S/c1-10(2)20-14(19)9-21-16-13(8-17)7-12-6-4-5-11(3)15(12)18-16/h4-7,10H,9H2,1-3H3