methyl 3-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-(4-sulfamoylanilino)ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(4-sulfamoylanilino)ethyl]thio]propionic acid methyl ester Formula: C12H16N2O5S2 MolecularWeight: 332.39584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C12H16N2O5S2/c1-19-12(16)6-7-20-8-11(15)14-9-2-4-10(5-3-9)21(13,17)18/h2-5H,6-8H2,1H3,(H,14,15)(H2,13,17,18)