2-[(E)-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(E)-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(4-benzyloxy-5-methoxy-2-nitro-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(4-benzoxy-5-methoxy-2-nitro-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=N/C2=C(C3=C(S2)CCCC3)C#N)[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4S/c1-30-21-11-17(14-26-24-19(13-25)18-9-5-6-10-23(18)32-24)20(27(28)29)12-22(21)31-15-16-7-3-2-4-8-16/h2-4,7-8,11-12,14H,5-6,9-10,15H2,1H3/b26-14+