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

Systemtic Name: 2-[(E)-(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(E)-(4-benzyloxy-3-ethoxy-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(E)-(4-benzoxy-3-ethoxy-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/C2=C(C3=C(S2)CCCC3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O2S/c1-2-28-23-14-19(12-13-22(23)29-17-18-8-4-3-5-9-18)16-27-25-21(15-26)20-10-6-7-11-24(20)30-25/h3-5,8-9,12-14,16H,2,6-7,10-11,17H2,1H3/b27-16+