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3-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoic acid

3-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoic acid

Systemtic Name:3-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoic acid
Openeye Name:3-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoic acid
CAS Name:3-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)thio]-1,3,4-thiadiazol-2-yl]propanoic acid
IUPAC Name:3-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoic acid
Traditional Name:3-[5-[(6-mesyl-1,3-benzothiazol-2-yl)thio]-1,3,4-thiadiazol-2-yl]propionic acid
Formula: C13H11N3O4S4
MolecularWeight: 401.50414
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(S3)CCC(=O)O


Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)SC3=NN=C(S3)CCC(=O)O


InChI

InChI=1S/C13H11N3O4S4/c1-24(19,20)7-2-3-8-9(6-7)21-12(14-8)23-13-16-15-10(22-13)4-5-11(17)18/h2-3,6H,4-5H2,1H3,(H,17,18)


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