4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(6-mesyl-1,3-benzothiazol-2-yl)amino]butyric acid Formula: C12H12N2O5S2 MolecularWeight: 328.36408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H12N2O5S2/c1-21(18,19)7-2-3-8-9(6-7)20-12(13-8)14-10(15)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)(H,13,14,15)