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

Systemtic Name: (E)-3-[2,6-bis(chloranyl)-4-[[4-[3-(3,3-dimethylbutyl)phenyl]-5-methoxy-1,3-thiazol-2-yl]carbamoyl]-2,6-bis(fluoranyl)cyclohex-3-en-1-yl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[2,6-dichloro-4-[[4-[3-(3,3-dimethylbutyl)phenyl]-5-methoxy-thiazol-2-yl]carbamoyl]-2,6-difluoro-cyclohex-3-en-1-yl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[2,6-dichloro-4-[[[4-[3-(3,3-dimethylbutyl)phenyl]-5-methoxy-2-thiazolyl]amino]-oxomethyl]-2,6-difluoro-1-cyclohex-3-enyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[2,6-dichloro-4-[[4-[3-(3,3-dimethylbutyl)phenyl]-5-methoxy-1,3-thiazol-2-yl]carbamoyl]-2,6-difluorocyclohex-3-en-1-yl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[2,6-dichloro-4-[[4-[3-(3,3-dimethylbutyl)phenyl]-5-methoxy-thiazol-2-yl]carbamoyl]-2,6-difluoro-cyclohex-3-en-1-yl]-2-methyl-acrylic acid Formula: C27H30Cl2F2N2O4S MolecularWeight: 587.505906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1C(CC(=CC1(F)Cl)C(=O)NC2=NC(=C(S2)OC)C3=CC(=CC=C3)CCC(C)(C)C)(F)Cl)C(=O)O

Isomeric SMILES

C/C(=C\C1C(CC(=CC1(F)Cl)C(=O)NC2=NC(=C(S2)OC)C3=CC(=CC=C3)CCC(C)(C)C)(F)Cl)/C(=O)O

InChI

InChI=1S/C27H30Cl2F2N2O4S/c1-15(22(35)36)11-19-26(28,30)13-18(14-27(19,29)31)21(34)33-24-32-20(23(37-5)38-24)17-8-6-7-16(12-17)9-10-25(2,3)4/h6-8,11-13,19H,9-10,14H2,1-5H3,(H,35,36)(H,32,33,34)/b15-11+