(E)-3-[2,6-bis(chloranyl)-4-[[4-[3-(5-chloranylpent-1-ynyl)-2-fluoranyl-phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methyl-prop-2-enoic acid

Systemtic Name: (E)-3-[2,6-bis(chloranyl)-4-[[4-[3-(5-chloranylpent-1-ynyl)-2-fluoranyl-phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[2,6-dichloro-4-[[4-[3-(5-chloropent-1-ynyl)-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[2,6-dichloro-4-[[[4-[3-(5-chloropent-1-ynyl)-2-fluorophenyl]-2-thiazolyl]amino]-oxomethyl]phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[2,6-dichloro-4-[[4-[3-(5-chloropent-1-ynyl)-2-fluorophenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[2,6-dichloro-4-[[4-[3-(5-chloropent-1-ynyl)-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-acrylic acid Formula: C25H18Cl3FN2O3S MolecularWeight: 551.844423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=C(C=C1Cl)C(=O)NC2=NC(=CS2)C3=CC=CC(=C3F)C#CCCCCl)Cl)C(=O)O

Isomeric SMILES

C/C(=C\C1=C(C=C(C=C1Cl)C(=O)NC2=NC(=CS2)C3=CC=CC(=C3F)C#CCCCCl)Cl)/C(=O)O

InChI

InChI=1S/C25H18Cl3FN2O3S/c1-14(24(33)34)10-18-19(27)11-16(12-20(18)28)23(32)31-25-30-21(13-35-25)17-8-5-7-15(22(17)29)6-3-2-4-9-26/h5,7-8,10-13H,2,4,9H2,1H3,(H,33,34)(H,30,31,32)/b14-10+