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

Systemtic Name: ethyl 3-[2-(3-phenylsulfanylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S3/c1-2-29-20(26)10-12-24-17-9-8-16(32(22,27)28)14-18(17)31-21(24)23-19(25)11-13-30-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H2,22,27,28)