(2E)-4-(1-benzothiophen-2-yl)-3-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylidene]butanenitrile

Systemtic Name: (2E)-4-(1-benzothiophen-2-yl)-3-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylidene]butanenitrile Openeye Name: (2E)-4-(benzothiophen-2-yl)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylene]butanenitrile CAS Name: (2E)-4-(1-benzothiophen-2-yl)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]butanenitrile IUPAC Name: (2E)-4-(1-benzothiophen-2-yl)-3-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]butanenitrile Traditional Name: (E)-2-[2-(benzothiophen-2-yl)acetyl]-3-(3,4,5-trimethoxyphenyl)acrylonitrile Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)CC2=CC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C(=O)CC2=CC3=CC=CC=C3S2

InChI

InChI=1S/C22H19NO4S/c1-25-19-9-14(10-20(26-2)22(19)27-3)8-16(13-23)18(24)12-17-11-15-6-4-5-7-21(15)28-17/h4-11H,12H2,1-3H3/b16-8+