(E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-(3-methoxyphenyl)prop-2-enoic acid

Systemtic Name: (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-(3-methoxyphenyl)prop-2-enoic acid Openeye Name: (E)-3-[2-cyano-5-(3-thienylmethoxy)phenyl]-2-(3-methoxyphenyl)prop-2-enoic acid CAS Name: (E)-3-[2-cyano-5-(3-thiophenylmethoxy)phenyl]-2-(3-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-(3-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-3-[2-cyano-5-(3-thenyloxy)phenyl]-2-(3-methoxyphenyl)acrylic acid Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=CC2=C(C=CC(=C2)OCC3=CSC=C3)C#N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO4S/c1-26-19-4-2-3-16(9-19)21(22(24)25)11-18-10-20(6-5-17(18)12-23)27-13-15-7-8-28-14-15/h2-11,14H,13H2,1H3,(H,24,25)/b21-11+