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

Systemtic Name: methyl 3-(2-pentanoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl 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)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S2/c1-3-4-5-14(20)18-16-19(9-8-15(21)24-2)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)