ethyl 3-[2-(2-methylpropanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(2-methylpropanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2-methylpropanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-(2-methyl-1-oxopropyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2-methylpropanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(2-isobutyrylimino-6-mesyl-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C(C)C

InChI

InChI=1S/C17H22N2O5S2/c1-5-24-15(20)8-9-19-13-7-6-12(26(4,22)23)10-14(13)25-17(19)18-16(21)11(2)3/h6-7,10-11H,5,8-9H2,1-4H3