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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-phenyl-pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-phenyl-pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-phenyl-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-phenylpent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-phenyl-pent-4-enoic acid Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO2S/c20-17(21)11-10-14(12-13-6-2-1-3-7-13)18-19-15-8-4-5-9-16(15)22-18/h1-9,12H,10-11H2,(H,20,21)/b14-12+