(E)-3-[2,6-bis(fluoranyl)-4-[[4-(3-heptoxy-2-methoxy-phenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methoxy-prop-2-enoic acid

Systemtic Name: (E)-3-[2,6-bis(fluoranyl)-4-[[4-(3-heptoxy-2-methoxy-phenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methoxy-prop-2-enoic acid Openeye Name: (E)-3-[2,6-difluoro-4-[[4-(3-heptoxy-2-methoxy-phenyl)thiazol-2-yl]carbamoyl]phenyl]-2-methoxy-prop-2-enoic acid CAS Name: (E)-3-[2,6-difluoro-4-[[[4-(3-heptoxy-2-methoxyphenyl)-2-thiazolyl]amino]-oxomethyl]phenyl]-2-methoxy-2-propenoic acid IUPAC Name: (E)-3-[2,6-difluoro-4-[[4-(3-heptoxy-2-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methoxyprop-2-enoic acid Traditional Name: (E)-3-[2,6-difluoro-4-[[4-(3-heptoxy-2-methoxy-phenyl)thiazol-2-yl]carbamoyl]phenyl]-2-methoxy-acrylic acid Formula: C28H30F2N2O6S MolecularWeight: 560.609406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)F)C=C(C(=O)O)OC)F

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)F)/C=C(\C(=O)O)/OC)F

InChI

InChI=1S/C28H30F2N2O6S/c1-4-5-6-7-8-12-38-23-11-9-10-18(25(23)37-3)22-16-39-28(31-22)32-26(33)17-13-20(29)19(21(30)14-17)15-24(36-2)27(34)35/h9-11,13-16H,4-8,12H2,1-3H3,(H,34,35)(H,31,32,33)/b24-15+