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

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethenyl-7-methoxy-6-oxidanyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-1-vinyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-ethenyl-6-hydroxy-7-methoxy-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethenyl-6-hydroxy-7-methoxy-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-1-vinyl-1H-isoquinoline-4-carboxamide Formula: C27H24ClN3O4S MolecularWeight: 522.01516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C=C)CC4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C=C)CC4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C27H24ClN3O4S/c1-5-20-18-11-22(34-4)21(32)10-17(18)19(27(33)29-26-14(2)30-35-15(26)3)12-31(20)13-24-25(28)16-8-6-7-9-23(16)36-24/h5-12,20,32H,1,13H2,2-4H3,(H,29,33)