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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-bromo-5-hydroxy-4-methoxy-phenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-bromo-5-hydroxy-4-methoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-bromo-5-hydroxy-4-methoxyphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-bromo-5-hydroxy-4-methoxy-phenyl)pent-4-enoic acid Formula: C19H16BrNO4S MolecularWeight: 434.30364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C19H16BrNO4S/c1-25-16-10-13(20)12(9-15(16)22)8-11(6-7-18(23)24)19-21-14-4-2-3-5-17(14)26-19/h2-5,8-10,22H,6-7H2,1H3,(H,23,24)/b11-8+