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

Systemtic Name: (E)-3-[4-[[4-[3-(3-butoxypropyl)-2-fluoranyl-phenyl]-1,3-thiazol-2-yl]carbamoyl]-2,6-bis(chloranyl)phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[4-[[4-[3-(3-butoxypropyl)-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]-2,6-dichloro-phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[4-[[[4-[3-(3-butoxypropyl)-2-fluorophenyl]-2-thiazolyl]amino]-oxomethyl]-2,6-dichlorophenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[4-[[4-[3-(3-butoxypropyl)-2-fluorophenyl]-1,3-thiazol-2-yl]carbamoyl]-2,6-dichlorophenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[4-[[4-[3-(3-butoxypropyl)-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]-2,6-dichloro-phenyl]-2-methyl-acrylic acid Formula: C27H27Cl2FN2O4S MolecularWeight: 565.483683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCC1=CC=CC(=C1F)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)C=C(C)C(=O)O)Cl

Isomeric SMILES

CCCCOCCCC1=CC=CC(=C1F)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)/C=C(\C)/C(=O)O)Cl

InChI

InChI=1S/C27H27Cl2FN2O4S/c1-3-4-10-36-11-6-8-17-7-5-9-19(24(17)30)23-15-37-27(31-23)32-25(33)18-13-21(28)20(22(29)14-18)12-16(2)26(34)35/h5,7,9,12-15H,3-4,6,8,10-11H2,1-2H3,(H,34,35)(H,31,32,33)/b16-12+