4-(1,3-benzothiazol-2-yl)-2,3-dimethyl-4-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-2,3-dimethyl-4-oxidanyl-cyclobut-2-en-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-2,3-dimethyl-cyclobut-2-en-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-2,3-dimethyl-1-cyclobut-2-enone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-2,3-dimethylcyclobut-2-en-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-4-hydroxy-2,3-dimethyl-cyclobut-2-en-1-one Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C1=O)(C2=NC3=CC=CC=C3S2)O)C

Isomeric SMILES

CC1=C(C(C1=O)(C2=NC3=CC=CC=C3S2)O)C

InChI

InChI=1S/C13H11NO2S/c1-7-8(2)13(16,11(7)15)12-14-9-5-3-4-6-10(9)17-12/h3-6,16H,1-2H3