2,4-bis[(3-ethyl-2H-1,3-benzothiazol-2-yl)methyl]cyclobuta-1,3-diene-1,3-diol

Systemtic Name: 2,4-bis[(3-ethyl-2H-1,3-benzothiazol-2-yl)methyl]cyclobuta-1,3-diene-1,3-diol Openeye Name: 2,4-bis[(3-ethyl-2H-1,3-benzothiazol-2-yl)methyl]cyclobuta-1,3-diene-1,3-diol CAS Name: 2,4-bis[(3-ethyl-2H-1,3-benzothiazol-2-yl)methyl]cyclobuta-1,3-diene-1,3-diol IUPAC Name: 2,4-bis[(3-ethyl-2H-1,3-benzothiazol-2-yl)methyl]cyclobuta-1,3-diene-1,3-diol Traditional Name: 2,4-bis[(3-ethyl-2H-1,3-benzothiazol-2-yl)methyl]cyclobuta-1,3-diene-1,3-diol Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=CC=CC=C21)CC3=C(C(=C3O)CC4N(C5=CC=CC=C5S4)CC)O

Isomeric SMILES

CCN1C(SC2=CC=CC=C21)CC3=C(C(=C3O)CC4N(C5=CC=CC=C5S4)CC)O

InChI

InChI=1S/C24H26N2O2S2/c1-3-25-17-9-5-7-11-19(17)29-21(25)13-15-23(27)16(24(15)28)14-22-26(4-2)18-10-6-8-12-20(18)30-22/h5-12,21-22,27-28H,3-4,13-14H2,1-2H3