(E)-2-(1-benzothiophen-3-ylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1-benzothiophen-3-ylcarbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(benzothiophene-3-carbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[1-benzothiophen-3-yl(oxo)methyl]-3-(3,4,5-trimethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1-benzothiophene-3-carbonyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(benzothiophene-3-carbonyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)C2=CSC3=CC=CC=C32

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C(=O)C2=CSC3=CC=CC=C32

InChI

InChI=1S/C21H17NO4S/c1-24-17-9-13(10-18(25-2)21(17)26-3)8-14(11-22)20(23)16-12-27-19-7-5-4-6-15(16)19/h4-10,12H,1-3H3/b14-8+