(E)-4-(1,3-benzothiazol-2-yl)-5-(4-methylsulfanylphenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methylsulfanylphenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methylsulfanylphenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(methylthio)phenyl]-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methylsulfanylphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(methylthio)phenyl]pent-4-enoic acid Formula: C19H17NO2S2 MolecularWeight: 355.47378

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO2S2/c1-23-15-9-6-13(7-10-15)12-14(8-11-18(21)22)19-20-16-4-2-3-5-17(16)24-19/h2-7,9-10,12H,8,11H2,1H3,(H,21,22)/b14-12+