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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-methoxy-3-oxidanyl-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-hydroxy-4-methoxy-phenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-hydroxy-4-methoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-hydroxy-4-methoxyphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-hydroxy-4-methoxy-phenyl)pent-4-enoic acid Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO4S/c1-24-16-8-6-12(11-15(16)21)10-13(7-9-18(22)23)19-20-14-4-2-3-5-17(14)25-19/h2-6,8,10-11,21H,7,9H2,1H3,(H,22,23)/b13-10+