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

Systemtic Name: ethyl 3-(2-cyclopropylcarbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-[2-(cyclopropanecarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[cyclopropyl(oxo)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(cyclopropanecarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(cyclopropanecarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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)C3CC3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3CC3

InChI

InChI=1S/C16H19N3O5S2/c1-2-24-14(20)7-8-19-12-6-5-11(26(17,22)23)9-13(12)25-16(19)18-15(21)10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H2,17,22,23)