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

Systemtic Name: N-[(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(4-benzyloxy-3-ethoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(4-benzoxy-3-ethoxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C25H21N3O5S MolecularWeight: 475.51634

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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-])OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O5S/c1-2-32-22-12-18(8-10-21(22)33-16-17-6-4-3-5-7-17)15-26-27-25(29)24-14-19-13-20(28(30)31)9-11-23(19)34-24/h3-15H,2,16H2,1H3,(H,27,29)