2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=C(O3)C=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=C(O3)C=C(C=C4)Cl)OC

InChI

InChI=1S/C20H19ClN2O4S/c1-25-17-7-12-5-6-23(10-13(12)8-18(17)26-2)19(24)11-28-20-22-15-4-3-14(21)9-16(15)27-20/h3-4,7-9H,5-6,10-11H2,1-2H3