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

Systemtic Name: N-[(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-allyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-allyl-5-ethoxy-4-propargyloxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC#C)CC=C)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC#C)CC=C)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5S/c1-4-7-17-11-16(12-20(31-6-3)23(17)32-10-5-2)15-25-26-24(28)22-14-18-13-19(27(29)30)8-9-21(18)33-22/h2,4,8-9,11-15H,1,6-7,10H2,3H3,(H,26,28)