2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]phenoxy]acetic acid CAS Name: 2-[4-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]phenoxy]acetic acid Formula: C18H12N2O3S2 MolecularWeight: 368.42948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(C=C3)OCC(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=CC3=CC=C(C=C3)OCC(=O)O)C#N

InChI

InChI=1S/C18H12N2O3S2/c19-10-14(24-18-20-15-3-1-2-4-16(15)25-18)9-12-5-7-13(8-6-12)23-11-17(21)22/h1-9H,11H2,(H,21,22)