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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

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