3-(2,1,3-benzothiadiazol-5-yl)-5-oxidanyl-4-(phenylmethyl)-5-(4-propan-2-yloxyphenyl)furan-2-one

Systemtic Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-oxidanyl-4-(phenylmethyl)-5-(4-propan-2-yloxyphenyl)furan-2-one Openeye Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-benzyl-5-hydroxy-5-(4-isopropoxyphenyl)furan-2-one CAS Name: 3-(2,1,3-benzothiadiazol-5-yl)-5-hydroxy-4-(phenylmethyl)-5-(4-propan-2-yloxyphenyl)-2-furanone IUPAC Name: 3-(2,1,3-benzothiadiazol-5-yl)-4-benzyl-5-hydroxy-5-(4-propan-2-yloxyphenyl)furan-2-one Traditional Name: 4-benzyl-5-hydroxy-5-(4-isopropoxyphenyl)-3-piazthiol-5-yl-furan-2-one Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC=CC=C5)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=NSN=C4C=C3)CC5=CC=CC=C5)O

InChI

InChI=1S/C26H22N2O4S/c1-16(2)31-20-11-9-19(10-12-20)26(30)21(14-17-6-4-3-5-7-17)24(25(29)32-26)18-8-13-22-23(15-18)28-33-27-22/h3-13,15-16,30H,14H2,1-2H3