(E)-3-[2,6-bis(chloranyl)-4-[[4-[2-fluoranyl-3-(3-propoxypropyl)phenyl]-5-morpholin-4-yl-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-propoxypropyl)phenyl]-5-morpholin-4-yl-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-propoxypropyl)phenyl]-5-morpholino-thiazol-2-yl]carbamoyl]phenyl]-2-methyl-prop-2-enoic acid CAS Name: (E)-3-[2,6-dichloro-4-[[[4-[2-fluoro-3-(3-propoxypropyl)phenyl]-5-(4-morpholinyl)-2-thiazolyl]amino]-oxomethyl]phenyl]-2-methyl-2-propenoic acid IUPAC Name: (E)-3-[2,6-dichloro-4-[[4-[2-fluoro-3-(3-propoxypropyl)phenyl]-5-morpholin-4-yl-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-propoxypropyl)phenyl]-5-morpholino-thiazol-2-yl]carbamoyl]phenyl]-2-methyl-acrylic acid Formula: C30H32Cl2FN3O5S MolecularWeight: 636.561583

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCCC1=CC=CC(=C1F)C2=C(SC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)C=C(C)C(=O)O)Cl)N4CCOCC4

Isomeric SMILES

CCCOCCCC1=CC=CC(=C1F)C2=C(SC(=N2)NC(=O)C3=CC(=C(C(=C3)Cl)/C=C(\C)/C(=O)O)Cl)N4CCOCC4

InChI

InChI=1S/C30H32Cl2FN3O5S/c1-3-11-40-12-5-7-19-6-4-8-21(25(19)33)26-28(36-9-13-41-14-10-36)42-30(34-26)35-27(37)20-16-23(31)22(24(32)17-20)15-18(2)29(38)39/h4,6,8,15-17H,3,5,7,9-14H2,1-2H3,(H,38,39)(H,34,35,37)/b18-15+