5-(2,1,3-benzothiadiazol-5-yl)-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-one

Systemtic Name: 5-(2,1,3-benzothiadiazol-5-yl)-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-one Openeye Name: 5-(2,1,3-benzothiadiazol-5-yl)-2,2-dimethyl-4-[4-(2-quinolylmethoxy)phenyl]furan-3-one CAS Name: 5-(2,1,3-benzothiadiazol-5-yl)-2,2-dimethyl-4-[4-(2-quinolinylmethoxy)phenyl]-3-furanone IUPAC Name: 5-(2,1,3-benzothiadiazol-5-yl)-2,2-dimethyl-4-[4-(quinolin-2-ylmethoxy)phenyl]furan-3-one Traditional Name: 2,2-dimethyl-5-piazthiol-5-yl-4-[4-(2-quinolylmethoxy)phenyl]furan-3-one Formula: C28H21N3O3S MolecularWeight: 479.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=C(O1)C2=CC3=NSN=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C

Isomeric SMILES

CC1(C(=O)C(=C(O1)C2=CC3=NSN=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C

InChI

InChI=1S/C28H21N3O3S/c1-28(2)27(32)25(26(34-28)19-10-14-23-24(15-19)31-35-30-23)18-8-12-21(13-9-18)33-16-20-11-7-17-5-3-4-6-22(17)29-20/h3-15H,16H2,1-2H3