ethyl 2-[4-[(7-chloranyl-1-methylsulfanyl-isoquinolin-3-yl)-methyl-amino]phenoxy]propanoate

Systemtic Name: ethyl 2-[4-[(7-chloranyl-1-methylsulfanyl-isoquinolin-3-yl)-methyl-amino]phenoxy]propanoate Openeye Name: ethyl 2-[4-[(7-chloro-1-methylsulfanyl-3-isoquinolyl)-methyl-amino]phenoxy]propanoate CAS Name: 2-[4-[[7-chloro-1-(methylthio)-3-isoquinolinyl]-methylamino]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-[(7-chloro-1-methylsulfanylisoquinolin-3-yl)-methylamino]phenoxy]propanoate Traditional Name: 2-[4-[[7-chloro-1-(methylthio)-3-isoquinolyl]-methyl-amino]phenoxy]propionic acid ethyl ester Formula: C22H23ClN2O3S MolecularWeight: 430.94762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=C(C=C1)N(C)C2=NC(=C3C=C(C=CC3=C2)Cl)SC

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=C(C=C1)N(C)C2=NC(=C3C=C(C=CC3=C2)Cl)SC

InChI

InChI=1S/C22H23ClN2O3S/c1-5-27-22(26)14(2)28-18-10-8-17(9-11-18)25(3)20-12-15-6-7-16(23)13-19(15)21(24-20)29-4/h6-14H,5H2,1-4H3