ethyl 2-(6-methylsulfonyl-2-propanoylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-(6-methylsulfonyl-2-propanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-(6-methylsulfonyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[6-methylsulfonyl-2-(1-oxopropylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-methylsulfonyl-2-propanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(6-mesyl-2-propionylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C15H18N2O5S2 MolecularWeight: 370.44382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5S2/c1-4-13(18)16-15-17(9-14(19)22-5-2)11-7-6-10(24(3,20)21)8-12(11)23-15/h6-8H,4-5,9H2,1-3H3