(E)-3-(3-methoxy-4-phenylmethoxy-phenyl)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-methoxy-4-phenylmethoxy-phenyl)-2-thiophen-2-ylcarbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-benzyloxy-3-methoxy-phenyl)-2-(thiophene-2-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-[oxo(thiophen-2-yl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-(thiophene-2-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxy-3-methoxy-phenyl)-2-(2-thenoyl)acrylonitrile Formula: C22H17NO3S MolecularWeight: 375.44028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CS2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CS2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H17NO3S/c1-25-20-13-17(12-18(14-23)22(24)21-8-5-11-27-21)9-10-19(20)26-15-16-6-3-2-4-7-16/h2-13H,15H2,1H3/b18-12+