3-[4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenoxy]propanoate

Systemtic Name: 3-[4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenoxy]propanoate Openeye Name: 3-[4-[(E)-2-cyano-2-(4-phenylthiazol-2-yl)vinyl]phenoxy]propanoate CAS Name: 3-[4-[(E)-2-cyano-2-(4-phenyl-2-thiazolyl)ethenyl]phenoxy]propanoate IUPAC Name: 3-[4-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenoxy]propanoate Traditional Name: 3-[4-[(E)-2-cyano-2-(4-phenylthiazol-2-yl)vinyl]phenoxy]propionate Formula: C21H15N2O3S- MolecularWeight: 375.4204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)C(=CC3=CC=C(C=C3)OCCC(=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)/C(=C/C3=CC=C(C=C3)OCCC(=O)[O-])/C#N

InChI

InChI=1S/C21H16N2O3S/c22-13-17(21-23-19(14-27-21)16-4-2-1-3-5-16)12-15-6-8-18(9-7-15)26-11-10-20(24)25/h1-9,12,14H,10-11H2,(H,24,25)/p-1/b17-12+