(E)-3-[2,6-bis(chloranyl)-4-[[4-[2-fluoranyl-3-(3-propoxyprop-1-ynyl)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-(3-propoxyprop-1-ynyl)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-(3-propoxyprop-1-ynyl)phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[2,6-dichloro-4-[[[4-[2-fluoro-3-(3-propoxyprop-1-ynyl)phenyl]-2-thiazolyl]amino]-oxomethyl]phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[2,6-dichloro-4-[[4-[2-fluoro-3-(3-propoxyprop-1-ynyl)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-(3-propoxyprop-1-ynyl)phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-acrylic acid Formula: C26H21Cl2FN2O4S MolecularWeight: 547.425343

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC#CC1=C(C(=CC=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)C=C(C)C(=O)O)Cl)F

Isomeric SMILES

CCCOCC#CC1=C(C(=CC=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)/C=C(\C)/C(=O)O)Cl)F

InChI

InChI=1S/C26H21Cl2FN2O4S/c1-3-9-35-10-5-7-16-6-4-8-18(23(16)29)22-14-36-26(30-22)31-24(32)17-12-20(27)19(21(28)13-17)11-15(2)25(33)34/h4,6,8,11-14H,3,9-10H2,1-2H3,(H,33,34)(H,30,31,32)/b15-11+