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

Systemtic Name: ethyl 3-(6-sulfamoyl-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-[6-sulfamoyl-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo(thiophen-2-yl)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-sulfamoyl-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-sulfamoyl-2-(2-thenoylimino)-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C17H17N3O5S3 MolecularWeight: 439.52898

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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=CC=CS3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H17N3O5S3/c1-2-25-15(21)7-8-20-12-6-5-11(28(18,23)24)10-14(12)27-17(20)19-16(22)13-4-3-9-26-13/h3-6,9-10H,2,7-8H2,1H3,(H2,18,23,24)