2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-ethenyl-7-methoxy-6-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-ethenyl-7-methoxy-6-oxidanyl-N-phenyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-vinyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-ethenyl-6-hydroxy-7-methoxy-N-phenyl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-ethenyl-6-hydroxy-7-methoxy-N-phenyl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-6-hydroxy-7-methoxy-N-phenyl-1-vinyl-1H-isoquinoline-4-carboxamide Formula: C28H23ClN2O3S MolecularWeight: 503.01182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=C(C5=CC=CC=C5S4)Cl)C=C)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(N(C=C2C(=O)NC3=CC=CC=C3)CC4=C(C5=CC=CC=C5S4)Cl)C=C)O

InChI

InChI=1S/C28H23ClN2O3S/c1-3-22-20-14-24(34-2)23(32)13-19(20)21(28(33)30-17-9-5-4-6-10-17)15-31(22)16-26-27(29)18-11-7-8-12-25(18)35-26/h3-15,22,32H,1,16H2,2H3,(H,30,33)