2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethenyl-7-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-oxidanyl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1-vinyl-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-1-ethenyl-7-hydroxy-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-7-hydroxy-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1-vinyl-1H-isoquinoline-4-carboxamide Formula: C26H22ClN3O3S MolecularWeight: 491.98918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C=C)CC4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C=C)CC4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C26H22ClN3O3S/c1-4-21-19-11-16(31)9-10-17(19)20(26(32)28-25-14(2)29-33-15(25)3)12-30(21)13-23-24(27)18-7-5-6-8-22(18)34-23/h4-12,21,31H,1,13H2,2-3H3,(H,28,32)