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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-2,3-diethyl-4-oxidanyl-cyclobut-2-en-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-2,3-diethyl-4-hydroxy-cyclobut-2-en-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-2,3-diethyl-4-hydroxy-1-cyclobut-2-enone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-2,3-diethyl-4-hydroxycyclobut-2-en-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-2,3-diethyl-4-hydroxy-cyclobut-2-en-1-one Formula: C15H15NO2S MolecularWeight: 273.3501

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C1=O)(C2=NC3=CC=CC=C3S2)O)CC

Isomeric SMILES

CCC1=C(C(C1=O)(C2=NC3=CC=CC=C3S2)O)CC

InChI

InChI=1S/C15H15NO2S/c1-3-9-10(4-2)15(18,13(9)17)14-16-11-7-5-6-8-12(11)19-14/h5-8,18H,3-4H2,1-2H3