6-tert-butyl-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 6-tert-butyl-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 6-tert-butyl-2-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 6-tert-butyl-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 6-tert-butyl-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 6-tert-butyl-2-[(E)-veratrylideneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)N=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)/N=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N2O2S/c1-22(2,3)15-7-8-16-17(12-23)21(27-20(16)11-15)24-13-14-6-9-18(25-4)19(10-14)26-5/h6,9-10,13,15H,7-8,11H2,1-5H3/b24-13+