(1R,5S)-7-[2-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]-1,3-thiazol-5-yl]-N-cyclopropyl-N-[(3-fluoranyl-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

Systemtic Name: (1R,5S)-7-[2-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]-1,3-thiazol-5-yl]-N-cyclopropyl-N-[(3-fluoranyl-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Openeye Name: (1R,5S)-N-cyclopropyl-7-[2-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]thiazol-5-yl]-N-[(3-fluoro-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide CAS Name: (1R,5S)-N-cyclopropyl-7-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-5-thiazolyl]-N-[(3-fluoro-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide IUPAC Name: (1R,5S)-N-cyclopropyl-7-[2-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-1,3-thiazol-5-yl]-N-[(3-fluoro-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Traditional Name: (1R,5S)-N-cyclopropyl-7-[2-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]thiazol-5-yl]-N-(3-fluoro-2-methyl-benzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Formula: C31H33Cl2FN4O3S MolecularWeight: 631.588123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCOC2=NC=C(S2)C3=C(C4CNCC(C3)N4)C(=O)N(CC5=C(C(=CC=C5)F)C)C6CC6)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCOC2=NC=C(S2)C3=C([C@H]4CNC[C@@H](C3)N4)C(=O)N(CC5=C(C(=CC=C5)F)C)C6CC6)Cl

InChI

InChI=1S/C31H33Cl2FN4O3S/c1-17-10-23(32)29(24(33)11-17)40-8-9-41-31-36-15-27(42-31)22-12-20-13-35-14-26(37-20)28(22)30(39)38(21-6-7-21)16-19-4-3-5-25(34)18(19)2/h3-5,10-11,15,20-21,26,35,37H,6-9,12-14,16H2,1-2H3/t20-,26-/m1/s1