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

Systemtic Name: ethyl 3-(2-butanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-(2-butanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[2-(1-oxobutylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-butanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-butyrylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)N)CCC(=O)OCC

Isomeric SMILES

CCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)N)CCC(=O)OCC

InChI

InChI=1S/C16H21N3O5S2/c1-3-5-14(20)18-16-19(9-8-15(21)24-4-2)12-7-6-11(26(17,22)23)10-13(12)25-16/h6-7,10H,3-5,8-9H2,1-2H3,(H2,17,22,23)