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

Systemtic Name: (E)-3-[2,6-bis(chloranyl)-4-[[4-[3-(3,3-dimethylbutoxymethyl)-2-fluoranyl-phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methoxy-prop-2-enoic acid Openeye Name: (E)-3-[2,6-dichloro-4-[[4-[3-(3,3-dimethylbutoxymethyl)-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methoxy-prop-2-enoic acid CAS Name: (E)-3-[2,6-dichloro-4-[[[4-[3-(3,3-dimethylbutoxymethyl)-2-fluorophenyl]-2-thiazolyl]amino]-oxomethyl]phenyl]-2-methoxy-2-propenoic acid IUPAC Name: (E)-3-[2,6-dichloro-4-[[4-[3-(3,3-dimethylbutoxymethyl)-2-fluorophenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methoxyprop-2-enoic acid Traditional Name: (E)-3-[2,6-dichloro-4-[[4-[3-(3,3-dimethylbutoxymethyl)-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methoxy-acrylic acid Formula: C27H27Cl2FN2O5S MolecularWeight: 581.483083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCOCC1=CC=CC(=C1F)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)C=C(C(=O)O)OC)Cl

Isomeric SMILES

CC(C)(C)CCOCC1=CC=CC(=C1F)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)/C=C(\C(=O)O)/OC)Cl

InChI

InChI=1S/C27H27Cl2FN2O5S/c1-27(2,3)8-9-37-13-15-6-5-7-17(23(15)30)21-14-38-26(31-21)32-24(33)16-10-19(28)18(20(29)11-16)12-22(36-4)25(34)35/h5-7,10-12,14H,8-9,13H2,1-4H3,(H,34,35)(H,31,32,33)/b22-12+