(E)-3-[4-[[6-(3,3-dimethylbut-1-ynyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl]carbamoyl]-2,6-bis(fluoranyl)phenyl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[4-[[6-(3,3-dimethylbut-1-ynyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl]carbamoyl]-2,6-bis(fluoranyl)phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[4-[[6-(3,3-dimethylbut-1-ynyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl]carbamoyl]-2,6-difluoro-phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-[[[6-(3,3-dimethylbut-1-ynyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl]amino]-oxomethyl]-2,6-difluorophenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-[[6-(3,3-dimethylbut-1-ynyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl]carbamoyl]-2,6-difluorophenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-[[6-(3,3-dimethylbut-1-ynyl)-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl]carbamoyl]-2,6-difluoro-phenyl]-2-methyl-acrylic acid Formula: C28H24F2N2O3S MolecularWeight: 506.563566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=C(C=C1F)C(=O)NC2=NC3=C(S2)CCC4=C(C=CC=C43)C#CC(C)(C)C)F)C(=O)O

Isomeric SMILES

C/C(=C\C1=C(C=C(C=C1F)C(=O)NC2=NC3=C(S2)CCC4=C(C=CC=C43)C#CC(C)(C)C)F)/C(=O)O

InChI

InChI=1S/C28H24F2N2O3S/c1-15(26(34)35)12-20-21(29)13-17(14-22(20)30)25(33)32-27-31-24-19-7-5-6-16(10-11-28(2,3)4)18(19)8-9-23(24)36-27/h5-7,12-14H,8-9H2,1-4H3,(H,34,35)(H,31,32,33)/b15-12+