methyl 2-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-2-cyano-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-2-cyano-ethyl]sulfanylethanoate Openeye Name: methyl 2-[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-2-cyano-ethyl]sulfanylacetate CAS Name: 2-[[1-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-2-cyanoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-2-cyanoethyl]sulfanylacetate Traditional Name: 2-[[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-2-cyano-ethyl]thio]acetic acid methyl ester Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(CC#N)C1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2

Isomeric SMILES

COC(=O)CSC(CC#N)C1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2

InChI

InChI=1S/C22H19ClN2O3S/c1-27-22(26)14-29-21(9-10-24)16-3-2-4-19(11-16)28-13-18-8-6-15-5-7-17(23)12-20(15)25-18/h2-8,11-12,21H,9,13-14H2,1H3