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

Systemtic Name: ethyl 3-(2-pentanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-(2-pentanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[2-(1-oxopentylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-pentanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(6-sulfamoyl-2-valerylimino-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C17H23N3O5S2 MolecularWeight: 413.51162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S2/c1-3-5-6-15(21)19-17-20(10-9-16(22)25-4-2)13-8-7-12(27(18,23)24)11-14(13)26-17/h7-8,11H,3-6,9-10H2,1-2H3,(H2,18,23,24)