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

Systemtic Name: ethyl 3-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(1,3-benzothiazole-6-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(1,3-benzothiazole-6-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(1,3-benzothiazole-6-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C20H18N4O5S3 MolecularWeight: 490.57572

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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)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H18N4O5S3/c1-2-29-18(25)7-8-24-15-6-4-13(32(21,27)28)10-17(15)31-20(24)23-19(26)12-3-5-14-16(9-12)30-11-22-14/h3-6,9-11H,2,7-8H2,1H3,(H2,21,27,28)