2-[7-iodanyl-2,5-bis(oxidanylidene)-3-[4-(trifluoromethyloxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-thiophen-2-yl-ethanoic acid

Systemtic Name: 2-[7-iodanyl-2,5-bis(oxidanylidene)-3-[4-(trifluoromethyloxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-thiophen-2-yl-ethanoic acid Openeye Name: 2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(2-thienyl)acetic acid CAS Name: 2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-thiophen-2-ylacetic acid IUPAC Name: 2-[7-iodo-2,5-dioxo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-thiophen-2-ylacetic acid Traditional Name: 2-[7-iodo-2,5-diketo-3-[4-(trifluoromethoxy)phenyl]-1,3-dihydro-1,4-benzodiazepin-4-yl]-2-(2-thienyl)acetic acid Formula: C22H14F3IN2O5S MolecularWeight: 602.32164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C(C(=O)O)N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C22H14F3IN2O5S/c23-22(24,25)33-13-6-3-11(4-7-13)17-19(29)27-15-8-5-12(26)10-14(15)20(30)28(17)18(21(31)32)16-2-1-9-34-16/h1-10,17-18H,(H,27,29)(H,31,32)