2-[2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethyliminomethyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[2-(homoveratryliminomethyl)pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=CC2=CC=CN2C3=C(C4=C(S3)CCCC4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=CC2=CC=CN2C3=C(C4=C(S3)CCCC4)C#N)OC

InChI

InChI=1S/C24H25N3O2S/c1-28-21-10-9-17(14-22(21)29-2)11-12-26-16-18-6-5-13-27(18)24-20(15-25)19-7-3-4-8-23(19)30-24/h5-6,9-10,13-14,16H,3-4,7-8,11-12H2,1-2H3