2-(1,3-benzothiazol-2-yl)-1-[2,4-bis(oxidanyl)-5-propyl-phenyl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-1-[2,4-bis(oxidanyl)-5-propyl-phenyl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-yl)-1-(2,4-dihydroxy-5-propyl-phenyl)ethanone CAS Name: 2-(1,3-benzothiazol-2-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-yl)-1-(2,4-dihydroxy-5-propyl-phenyl)ethanone Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C(=O)CC2=NC3=CC=CC=C3S2)O)O

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C(=O)CC2=NC3=CC=CC=C3S2)O)O

InChI

InChI=1S/C18H17NO3S/c1-2-5-11-8-12(15(21)9-14(11)20)16(22)10-18-19-13-6-3-4-7-17(13)23-18/h3-4,6-9,20-21H,2,5,10H2,1H3