4-[[3-fluoranyl-4-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)phenyl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[3-fluoranyl-4-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)phenyl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[3-fluoro-4-(5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-yl)benzoyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[3-fluoro-4-(5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-yl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[3-fluoro-4-(5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[3-fluoro-4-(5,6,7,8-tetrahydro-4H-thiazol[4,5-d]azepin-2-yl)benzoyl]amino]cyclohexanecarboxylic acid Formula: C21H24FN3O3S MolecularWeight: 417.496963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=C(C=C2)C3=NC4=C(S3)CCNCC4)F

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=C(C=C2)C3=NC4=C(S3)CCNCC4)F

InChI

InChI=1S/C21H24FN3O3S/c22-16-11-13(19(26)24-14-4-1-12(2-5-14)21(27)28)3-6-15(16)20-25-17-7-9-23-10-8-18(17)29-20/h3,6,11-12,14,23H,1-2,4-5,7-10H2,(H,24,26)(H,27,28)