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

Systemtic Name: N-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-ethoxy-4-propargyloxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC#C

InChI

InChI=1S/C21H17N3O5S/c1-3-9-29-17-7-5-14(10-18(17)28-4-2)13-22-23-21(25)20-12-15-11-16(24(26)27)6-8-19(15)30-20/h1,5-8,10-13H,4,9H2,2H3,(H,23,25)