(E)-4-(1,3-benzothiazol-2-yl)-5-(6-bromanyl-1,3-benzodioxol-5-yl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(6-bromanyl-1,3-benzodioxol-5-yl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(6-bromo-1,3-benzodioxol-5-yl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(6-bromo-1,3-benzodioxol-5-yl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(6-bromo-1,3-benzodioxol-5-yl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(6-bromo-1,3-benzodioxol-5-yl)pent-4-enoic acid Formula: C19H14BrNO4S MolecularWeight: 432.28776

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(CCC(=O)O)C3=NC4=CC=CC=C4S3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\CCC(=O)O)/C3=NC4=CC=CC=C4S3)Br

InChI

InChI=1S/C19H14BrNO4S/c20-13-9-16-15(24-10-25-16)8-12(13)7-11(5-6-18(22)23)19-21-14-3-1-2-4-17(14)26-19/h1-4,7-9H,5-6,10H2,(H,22,23)/b11-7+