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

Systemtic Name: ethyl 3-(6-methylsulfonyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-(6-methylsulfonyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[6-methylsulfonyl-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(6-methylsulfonyl-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(6-mesyl-2-valerylimino-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S2/c1-4-6-7-16(21)19-18-20(11-10-17(22)25-5-2)14-9-8-13(27(3,23)24)12-15(14)26-18/h8-9,12H,4-7,10-11H2,1-3H3