(E)-4-(1,3-benzothiazol-2-yl)-5-[2-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[2-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[2-(difluoromethoxy)-3-methoxy-phenyl]pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[2-(difluoromethoxy)-3-methoxyphenyl]-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[2-(difluoromethoxy)-3-methoxyphenyl]pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-[2-(difluoromethoxy)-3-methoxy-phenyl]pent-4-enoic acid Formula: C20H17F2NO4S MolecularWeight: 405.415086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC(F)F)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=CC(=C1OC(F)F)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H17F2NO4S/c1-26-15-7-4-5-12(18(15)27-20(21)22)11-13(9-10-17(24)25)19-23-14-6-2-3-8-16(14)28-19/h2-8,11,20H,9-10H2,1H3,(H,24,25)/b13-11+