3-[5-[[3-[2,6-bis(chloranyl)phenyl]-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-1-benzothiophen-2-yl]benzoic acid

Systemtic Name: 3-[5-[[3-[2,6-bis(chloranyl)phenyl]-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-1-benzothiophen-2-yl]benzoic acid Openeye Name: 3-[5-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]benzothiophen-2-yl]benzoic acid CAS Name: 3-[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-4-isoxazolyl]methoxy]-1-benzothiophen-2-yl]benzoic acid IUPAC Name: 3-[5-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-1-benzothiophen-2-yl]benzoic acid Traditional Name: 3-[5-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]benzothiophen-2-yl]benzoic acid Formula: C28H21Cl2NO4S MolecularWeight: 538.44164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC3=CC4=C(C=C3)SC(=C4)C5=CC(=CC=C5)C(=O)O

Isomeric SMILES

CC(C)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC3=CC4=C(C=C3)SC(=C4)C5=CC(=CC=C5)C(=O)O

InChI

InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)7-4-8-22(25)30)14-34-19-9-10-23-18(12-19)13-24(36-23)16-5-3-6-17(11-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33)