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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methylsulfanylphenyl)but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methylsulfanylphenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(methylthio)phenyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-methylsulfanylphenyl)but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(methylthio)phenyl]but-3-enoate Formula: C18H14NO2S2- MolecularWeight: 340.43926

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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)/p-1/b13-10+