(E)-3-[2,6-bis(chloranyl)-4-[[4-[3-(cyclobutylmethoxymethyl)-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-(cyclobutylmethoxymethyl)-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-(cyclobutylmethoxymethyl)-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[2,6-dichloro-4-[[[4-[3-(cyclobutylmethoxymethyl)-2-fluorophenyl]-2-thiazolyl]amino]-oxomethyl]phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[2,6-dichloro-4-[[4-[3-(cyclobutylmethoxymethyl)-2-fluorophenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[2,6-dichloro-4-[[4-[3-(cyclobutylmethoxymethyl)-2-fluoro-phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-acrylic acid Formula: C26H23Cl2FN2O4S MolecularWeight: 549.441223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=C(C=C1Cl)C(=O)NC2=NC(=CS2)C3=C(C(=CC=C3)COCC4CCC4)F)Cl)C(=O)O

Isomeric SMILES

C/C(=C\C1=C(C=C(C=C1Cl)C(=O)NC2=NC(=CS2)C3=C(C(=CC=C3)COCC4CCC4)F)Cl)/C(=O)O

InChI

InChI=1S/C26H23Cl2FN2O4S/c1-14(25(33)34)8-19-20(27)9-17(10-21(19)28)24(32)31-26-30-22(13-36-26)18-7-3-6-16(23(18)29)12-35-11-15-4-2-5-15/h3,6-10,13,15H,2,4-5,11-12H2,1H3,(H,33,34)(H,30,31,32)/b14-8+