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

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-oxidanyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1-(2-thienyl)-1H-isoquinoline-4-carboxamide CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-4-isoxazolyl)-7-hydroxy-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-hydroxy-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-1-(2-thienyl)-1H-isoquinoline-4-carboxamide Formula: C28H22ClN3O3S2 MolecularWeight: 548.07558

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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)C4=CC=CS4)CC5=C(C6=CC=CC=C6S5)Cl

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4=CC=CS4)CC5=C(C6=CC=CC=C6S5)Cl

InChI

InChI=1S/C28H22ClN3O3S2/c1-15-26(16(2)35-31-15)30-28(34)21-13-32(14-24-25(29)19-6-3-4-7-22(19)37-24)27(23-8-5-11-36-23)20-12-17(33)9-10-18(20)21/h3-13,27,33H,14H2,1-2H3,(H,30,34)