(2-chloranyl-5-methylsulfanyl-phenyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2-yl)methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2-yl)methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2-yl)methanone Formula: C20H20ClNO3S MolecularWeight: 389.8957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C)N(CCC2=C1)C(=O)C3=C(C=CC(=C3)SC)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C)N(CCC2=C1)C(=O)C3=C(C=CC(=C3)SC)Cl)OC

InChI

InChI=1S/C20H20ClNO3S/c1-12-15-11-19(25-3)18(24-2)9-13(15)7-8-22(12)20(23)16-10-14(26-4)5-6-17(16)21/h5-6,9-11H,1,7-8H2,2-4H3