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

Systemtic Name: (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenyl-prop-2-enoic acid Openeye Name: (E)-3-[2-cyano-5-(3-thienylmethoxy)phenyl]-2-phenyl-prop-2-enoic acid CAS Name: (E)-3-[2-cyano-5-(3-thiophenylmethoxy)phenyl]-2-phenyl-2-propenoic acid IUPAC Name: (E)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enoic acid Traditional Name: (E)-3-[2-cyano-5-(3-thenyloxy)phenyl]-2-phenyl-acrylic acid Formula: C21H15NO3S MolecularWeight: 361.4137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15NO3S/c22-12-17-6-7-19(25-13-15-8-9-26-14-15)10-18(17)11-20(21(23)24)16-4-2-1-3-5-16/h1-11,14H,13H2,(H,23,24)/b20-11+