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

Systemtic Name: ethyl 2-(2-pentanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-(2-pentanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[2-(1-oxopentylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-pentanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(6-sulfamoyl-2-valerylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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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)CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S2/c1-3-5-6-14(20)18-16-19(10-15(21)24-4-2)12-8-7-11(26(17,22)23)9-13(12)25-16/h7-9H,3-6,10H2,1-2H3,(H2,17,22,23)