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

Systemtic Name: N-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-[(5-nitrofuran-2-yl)methyl]-6-oxidanyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Openeye Name: N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-2-[(5-nitro-2-furyl)methyl]-1-(2-thienyl)-1H-isoquinoline-4-carboxamide CAS Name: N-(3,5-dimethyl-4-isoxazolyl)-6-hydroxy-7-methoxy-2-[(5-nitro-2-furanyl)methyl]-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide IUPAC Name: N-(3,5-dimethyl-1,2-oxazol-4-yl)-6-hydroxy-7-methoxy-2-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Traditional Name: N-(3,5-dimethylisoxazol-4-yl)-6-hydroxy-7-methoxy-2-[(5-nitro-2-furyl)methyl]-1-(2-thienyl)-1H-isoquinoline-4-carboxamide Formula: C25H22N4O7S MolecularWeight: 522.52978

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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)C4=CC=CS4)CC5=CC=C(O5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=CC(=C(C=C32)O)OC)C4=CC=CS4)CC5=CC=C(O5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O7S/c1-13-23(14(2)36-27-13)26-25(31)18-12-28(11-15-6-7-22(35-15)29(32)33)24(21-5-4-8-37-21)17-10-20(34-3)19(30)9-16(17)18/h4-10,12,24,30H,11H2,1-3H3,(H,26,31)