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

Systemtic Name: methyl 3-[1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-2-cyano-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-2-cyano-ethyl]sulfanylpropanoate CAS Name: 3-[[1-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-2-cyanoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-2-cyanoethyl]sulfanylpropanoate Traditional Name: 3-[[1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-2-cyano-ethyl]thio]propionic acid methyl ester Formula: C23H21ClN2O3S MolecularWeight: 440.94244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O3S/c1-28-23(27)10-12-30-22(9-11-25)17-3-2-4-20(13-17)29-15-19-8-6-16-5-7-18(24)14-21(16)26-19/h2-8,13-14,22H,9-10,12,15H2,1H3