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

Systemtic Name: methyl 2-[2-(3-phenylsulfanylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-phenylsulfanylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1-oxo-3-(phenylthio)propyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-phenylsulfanylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-(phenylthio)propanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H19N3O5S3 MolecularWeight: 465.56626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O5S3/c1-27-18(24)12-22-15-8-7-14(30(20,25)26)11-16(15)29-19(22)21-17(23)9-10-28-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H2,20,25,26)