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

Systemtic Name: N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(5-nitrofuran-2-yl)methyl]-7-oxidanyl-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Openeye Name: N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-2-[(5-nitro-2-furyl)methyl]-1-(2-thienyl)-1H-isoquinoline-4-carboxamide CAS Name: N-(3,5-dimethyl-4-isoxazolyl)-7-hydroxy-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)-7-hydroxy-2-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-yl-1H-isoquinoline-4-carboxamide Traditional Name: N-(3,5-dimethylisoxazol-4-yl)-7-hydroxy-2-[(5-nitro-2-furyl)methyl]-1-(2-thienyl)-1H-isoquinoline-4-carboxamide Formula: C24H20N4O6S MolecularWeight: 492.5038

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

Isomeric SMILES

CC1=C(C(=NO1)C)NC(=O)C2=CN(C(C3=C2C=CC(=C3)O)C4=CC=CS4)CC5=CC=C(O5)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O6S/c1-13-22(14(2)34-26-13)25-24(30)19-12-27(11-16-6-8-21(33-16)28(31)32)23(20-4-3-9-35-20)18-10-15(29)5-7-17(18)19/h3-10,12,23,29H,11H2,1-2H3,(H,25,30)