methyl 3-[2-(3-phenylsulfanylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(3-phenylsulfanylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3-phenylsulfanylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[1-oxo-3-(phenylthio)propyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-phenylsulfanylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[3-(phenylthio)propanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5S3/c1-28-19(25)9-11-23-16-8-7-15(31(21,26)27)13-17(16)30-20(23)22-18(24)10-12-29-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,21,26,27)