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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methylsulfanylphenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methylsulfanylphenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(methylthio)phenyl]-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methylsulfanylphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(methylthio)phenyl]but-3-enoic acid Formula: C18H15NO2S2 MolecularWeight: 341.4472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO2S2/c1-22-14-8-6-12(7-9-14)10-13(11-17(20)21)18-19-15-4-2-3-5-16(15)23-18/h2-10H,11H2,1H3,(H,20,21)/b13-10+