N-[(3-methoxy-2-propan-2-yloxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-methoxy-2-propan-2-yloxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(2-isopropoxy-3-methoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(2-isopropoxy-3-methoxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1OC)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=CC=C1OC)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-12(2)28-19-13(5-4-6-16(19)27-3)11-21-22-20(24)18-10-14-9-15(23(25)26)7-8-17(14)29-18/h4-12H,1-3H3,(H,22,24)