2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenoxy]ethanoate Openeye Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenoxy]acetate CAS Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]acetate IUPAC Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenoxy]acetate Formula: C18H11N2O3S- MolecularWeight: 335.35654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)OCC(=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(C=C3)OCC(=O)[O-])/C#N

InChI

InChI=1S/C18H12N2O3S/c19-10-13(18-20-15-3-1-2-4-16(15)24-18)9-12-5-7-14(8-6-12)23-11-17(21)22/h1-9H,11H2,(H,21,22)/p-1/b13-9+