2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C26H23ClN2O4S MolecularWeight: 494.98982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H23ClN2O4S/c1-31-22-12-17-10-11-29(25(16-6-4-3-5-7-16)19(17)14-23(22)32-2)24(30)15-34-26-28-20-13-18(27)8-9-21(20)33-26/h3-9,12-14,25H,10-11,15H2,1-2H3