ethyl 2-[2-[2-(4-ethylphenyl)ethanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(4-ethylphenyl)ethanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-ethylphenyl)acetyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(4-ethylphenyl)-1-oxoethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-ethylphenyl)acetyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(4-ethylphenyl)acetyl]imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OCC

InChI

InChI=1S/C22H24N2O5S2/c1-4-15-6-8-16(9-7-15)12-20(25)23-22-24(14-21(26)29-5-2)18-11-10-17(31(3,27)28)13-19(18)30-22/h6-11,13H,4-5,12,14H2,1-3H3