(E)-3-[2,6-bis(chloranyl)-4-[[4-[2-fluoranyl-3-(1-hexoxypropyl)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-hexoxypropyl)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-hexoxypropyl)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-hexoxypropyl)phenyl]-2-thiazolyl]amino]-oxomethyl]phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[2,6-dichloro-4-[[4-[2-fluoro-3-(1-hexoxypropyl)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-hexoxypropyl)phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-acrylic acid Formula: C29H31Cl2FN2O4S MolecularWeight: 593.536843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31Cl2FN2O4S/c1-4-6-7-8-12-38-25(5-2)20-11-9-10-19(26(20)32)24-16-39-29(33-24)34-27(35)18-14-22(30)21(23(31)15-18)13-17(3)28(36)37/h9-11,13-16,25H,4-8,12H2,1-3H3,(H,36,37)(H,33,34,35)/b17-13+