N-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-methoxy-4-propargyloxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H15N3O5S MolecularWeight: 409.4152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC#C

InChI

InChI=1S/C20H15N3O5S/c1-3-8-28-16-6-4-13(9-17(16)27-2)12-21-22-20(24)19-11-14-10-15(23(25)26)5-7-18(14)29-19/h1,4-7,9-12H,8H2,2H3,(H,22,24)