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

Systemtic Name: (E)-3-[2,6-bis(fluoranyl)-4-[[4-[2-methoxy-3-(3-propoxypropyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methyl-prop-2-enoic acid Openeye Name: (E)-3-[2,6-difluoro-4-[[4-[2-methoxy-3-(3-propoxypropyl)phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[2,6-difluoro-4-[[[4-[2-methoxy-3-(3-propoxypropyl)phenyl]-2-thiazolyl]amino]-oxomethyl]phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[2,6-difluoro-4-[[4-[2-methoxy-3-(3-propoxypropyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]-2-methylprop-2-enoic acid Traditional Name: (E)-3-[2,6-difluoro-4-[[4-[2-methoxy-3-(3-propoxypropyl)phenyl]thiazol-2-yl]carbamoyl]phenyl]-2-methyl-acrylic acid Formula: C27H28F2N2O5S MolecularWeight: 530.583426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCC1=CC=CC(=C1OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)F)C=C(C)C(=O)O)F

Isomeric SMILES

CCCOCCCC1=CC=CC(=C1OC)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)F)/C=C(\C)/C(=O)O)F

InChI

InChI=1S/C27H28F2N2O5S/c1-4-10-36-11-6-8-17-7-5-9-19(24(17)35-3)23-15-37-27(30-23)31-25(32)18-13-21(28)20(22(29)14-18)12-16(2)26(33)34/h5,7,9,12-15H,4,6,8,10-11H2,1-3H3,(H,33,34)(H,30,31,32)/b16-12+