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

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-pyridin-3-yl-ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-pyridyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-pyridinyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-pyridin-3-ylethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-pyridyl)vinyl]thio]acetic acid Formula: C16H12N2O2S2 MolecularWeight: 328.40868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O2S2/c19-15(20)10-21-14(8-11-4-3-7-17-9-11)16-18-12-5-1-2-6-13(12)22-16/h1-9H,10H2,(H,19,20)/b14-8-