2-[(Z)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenyl-prop-2-enyl]propanedioic acid

Systemtic Name: 2-[(Z)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenyl-prop-2-enyl]propanedioic acid Openeye Name: 2-[(Z)-3-[2-cyano-5-(3-thienylmethoxy)phenyl]-2-phenyl-allyl]propanedioic acid CAS Name: 2-[(Z)-3-[2-cyano-5-(3-thiophenylmethoxy)phenyl]-2-phenylprop-2-enyl]propanedioic acid IUPAC Name: 2-[(Z)-3-[2-cyano-5-(thiophen-3-ylmethoxy)phenyl]-2-phenylprop-2-enyl]propanedioic acid Traditional Name: 2-[(Z)-3-[2-cyano-5-(3-thenyloxy)phenyl]-2-phenyl-allyl]malonic acid Formula: C24H19NO5S MolecularWeight: 433.47636

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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)CC(C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO5S/c25-13-18-6-7-21(30-14-16-8-9-31-15-16)11-19(18)10-20(17-4-2-1-3-5-17)12-22(23(26)27)24(28)29/h1-11,15,22H,12,14H2,(H,26,27)(H,28,29)/b20-10-