6-(2-butylsulfanylethanoyl)-3H-1,3-benzothiazol-2-one

Systemtic Name: 6-(2-butylsulfanylethanoyl)-3H-1,3-benzothiazol-2-one Openeye Name: 6-(2-butylsulfanylacetyl)-3H-1,3-benzothiazol-2-one CAS Name: 6-[2-(butylthio)-1-oxoethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 6-(2-butylsulfanylacetyl)-3H-1,3-benzothiazol-2-one Traditional Name: 6-[2-(butylthio)acetyl]-3H-1,3-benzothiazol-2-one Formula: C13H15NO2S2 MolecularWeight: 281.3937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)C1=CC2=C(C=C1)NC(=O)S2

Isomeric SMILES

CCCCSCC(=O)C1=CC2=C(C=C1)NC(=O)S2

InChI

InChI=1S/C13H15NO2S2/c1-2-3-6-17-8-11(15)9-4-5-10-12(7-9)18-13(16)14-10/h4-5,7H,2-3,6,8H2,1H3,(H,14,16)