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

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

Systemtic Name:2-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenoxy]ethanoate
Openeye Name:2-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenoxy]acetate
CAS Name:2-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]acetate
IUPAC Name:2-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]acetate
Traditional Name:2-[2-[(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=C(C(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OCC(=O)[O-]


Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2)OCC(=O)[O-]


InChI

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


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