3-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-methyl-2-oxidanyl-pyran-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-methyl-2-oxidanyl-pyran-4-one Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-hydroxy-6-methyl-pyran-4-one CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-2-hydroxy-6-methyl-4-pyranone IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-hydroxy-6-methylpyran-4-one Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-2-hydroxy-6-methyl-pyran-4-one Formula: C14H11NO3S2 MolecularWeight: 305.37204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=O)C(=C(O1)O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H11NO3S2/c1-8-6-11(16)9(13(17)18-8)7-19-14-15-10-4-2-3-5-12(10)20-14/h2-6,17H,7H2,1H3