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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC(=C1F)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)C=C(C)C(=O)O)Cl)OCCC

Isomeric SMILES

CCCC(C1=CC=CC(=C1F)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)/C=C(\C)/C(=O)O)Cl)OCCC

InChI

InChI=1S/C27H27Cl2FN2O4S/c1-4-7-23(36-10-5-2)18-9-6-8-17(24(18)30)22-14-37-27(31-22)32-25(33)16-12-20(28)19(21(29)13-16)11-15(3)26(34)35/h6,8-9,11-14,23H,4-5,7,10H2,1-3H3,(H,34,35)(H,31,32,33)/b15-11+