2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-cyanophenyl)ethenyl]sulfanylethanoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-cyanophenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-cyanophenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-cyanophenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-cyanophenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-cyanophenyl)vinyl]thio]acetic acid Formula: C18H12N2O2S2 MolecularWeight: 352.43008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=CC(=C3)C#N)/SCC(=O)O

InChI

InChI=1S/C18H12N2O2S2/c19-10-13-5-3-4-12(8-13)9-16(23-11-17(21)22)18-20-14-6-1-2-7-15(14)24-18/h1-9H,11H2,(H,21,22)/b16-9-