4-[2-[4-(5-thiomorpholin-4-ylpentoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid

Systemtic Name: 4-[2-[4-(5-thiomorpholin-4-ylpentoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid Openeye Name: 4-[2-[4-(5-thiomorpholinopentoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid CAS Name: 4-[2-[4-(5-thiomorpholin-4-ylpentoxy)phenyl]-6-imidazo[2,1-b][1,3,4]thiadiazolyl]benzoic acid IUPAC Name: 4-[2-[4-(5-thiomorpholin-4-ylpentoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid Traditional Name: 4-[2-[4-(5-thiomorpholinopentoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid Formula: C26H28N4O3S2 MolecularWeight: 508.65552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CCCCCOC2=CC=C(C=C2)C3=NN4C=C(N=C4S3)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CSCCN1CCCCCOC2=CC=C(C=C2)C3=NN4C=C(N=C4S3)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H28N4O3S2/c31-25(32)21-6-4-19(5-7-21)23-18-30-26(27-23)35-24(28-30)20-8-10-22(11-9-20)33-15-3-1-2-12-29-13-16-34-17-14-29/h4-11,18H,1-3,12-17H2,(H,31,32)