2-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(6-mesyl-1,3-benzothiazol-2-yl)amino]ethyl]thio]acetate Formula: C12H11N2O5S3- MolecularWeight: 359.42114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O5S3/c1-22(18,19)7-2-3-8-9(4-7)21-12(13-8)14-10(15)5-20-6-11(16)17/h2-4H,5-6H2,1H3,(H,16,17)(H,13,14,15)/p-1