5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-5-oxo-pentanoate CAS Name: 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate IUPAC Name: 5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate Traditional Name: 5-keto-5-[(6-mesyl-1,3-benzothiazol-2-yl)amino]valerate Formula: C13H13N2O5S2- MolecularWeight: 341.38272

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C13H14N2O5S2/c1-22(19,20)8-5-6-9-10(7-8)21-13(14-9)15-11(16)3-2-4-12(17)18/h5-7H,2-4H2,1H3,(H,17,18)(H,14,15,16)/p-1