3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-[[(3R,5R)-7-(diethylamino)-3,5-bis(oxidanyl)-7-oxidanylidene-heptyl]carbamoylamino]-1,2-thiazole-4-carboxamide

Systemtic Name: 3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-[[(3R,5R)-7-(diethylamino)-3,5-bis(oxidanyl)-7-oxidanylidene-heptyl]carbamoylamino]-1,2-thiazole-4-carboxamide Openeye Name: 3-[(4-bromo-2,6-difluoro-phenyl)methoxy]-5-[[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxo-heptyl]carbamoylamino]isothiazole-4-carboxamide CAS Name: 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-[[[[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]amino]-oxomethyl]amino]-4-isothiazolecarboxamide IUPAC Name: 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-[[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-oxoheptyl]carbamoylamino]-1,2-thiazole-4-carboxamide Traditional Name: 3-(4-bromo-2,6-difluoro-benzyl)oxy-5-[[(3R,5R)-7-(diethylamino)-3,5-dihydroxy-7-keto-heptyl]carbamoylamino]isothiazole-4-carboxamide Formula: C23H30BrF2N5O6S MolecularWeight: 622.480006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CC(CC(CCNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2F)Br)F)C(=O)N)O)O

Isomeric SMILES

CCN(CC)C(=O)C[C@@H](C[C@@H](CCNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2F)Br)F)C(=O)N)O)O

InChI

InChI=1S/C23H30BrF2N5O6S/c1-3-31(4-2)18(34)10-14(33)9-13(32)5-6-28-23(36)29-22-19(20(27)35)21(30-38-22)37-11-15-16(25)7-12(24)8-17(15)26/h7-8,13-14,32-33H,3-6,9-11H2,1-2H3,(H2,27,35)(H2,28,29,36)/t13-,14-/m1/s1