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

Systemtic Name: ethyl 3-(2-cyclopropylcarbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-[2-(cyclopropanecarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[cyclopropyl(oxo)methyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(cyclopropanecarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(cyclopropanecarbonylimino)-6-mesyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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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)C3CC3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3CC3

InChI

InChI=1S/C17H20N2O5S2/c1-3-24-15(20)8-9-19-13-7-6-12(26(2,22)23)10-14(13)25-17(19)18-16(21)11-4-5-11/h6-7,10-11H,3-5,8-9H2,1-2H3