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

Systemtic Name: methyl 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(6-mesyl-1,3-benzothiazol-2-yl)amino]butyric acid methyl ester Formula: C13H14N2O5S2 MolecularWeight: 342.39066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)CCC(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C13H14N2O5S2/c1-20-12(17)6-5-11(16)15-13-14-9-4-3-8(22(2,18)19)7-10(9)21-13/h3-4,7H,5-6H2,1-2H3,(H,14,15,16)