2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylsulfanyl]-1,3-benzoxazole CAS Name: 2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylthio]-1,3-benzoxazole IUPAC Name: 2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylthio]-1,3-benzoxazole Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CSC3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CSC3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C19H18N2O3S/c1-22-17-9-12-7-8-20-15(13(12)10-18(17)23-2)11-25-19-21-14-5-3-4-6-16(14)24-19/h3-6,9-10H,7-8,11H2,1-2H3