2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)ethenyl]sulfanylethanoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(p-tolyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(p-tolyl)vinyl]thio]acetic acid Formula: C18H15NO2S2 MolecularWeight: 341.4472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)O

InChI

InChI=1S/C18H15NO2S2/c1-12-6-8-13(9-7-12)10-16(22-11-17(20)21)18-19-14-4-2-3-5-15(14)23-18/h2-10H,11H2,1H3,(H,20,21)/b16-10-