2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-6-oxidanyl-1H-isoquinoline-4-carboxamide

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-6-oxidanyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-4-isoxazolyl)-6-hydroxy-7-methoxy-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-6-hydroxy-7-methoxy-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1-cyclopropyl-N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-1H-isoquinoline-4-carboxamide Formula: C28H26ClN3O4S MolecularWeight: 536.04174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C4CC4)CC5=C(C6=CC=CC=C6S5)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C4CC4)CC5=C(C6=CC=CC=C6S5)Cl

InChI

InChI=1S/C28H26ClN3O4S/c1-14-26(15(2)36-31-14)30-28(34)20-12-32(13-24-25(29)17-6-4-5-7-23(17)37-24)27(16-8-9-16)19-11-22(35-3)21(33)10-18(19)20/h4-7,10-12,16,27,33H,8-9,13H2,1-3H3,(H,30,34)