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

Systemtic Name: ethyl 2-[2-[2-(4-methoxyphenyl)ethanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(4-methoxyphenyl)-1-oxoethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-methoxyphenyl)acetyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-[2-(4-methoxyphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O6S2/c1-4-29-20(25)13-23-17-10-9-16(31(3,26)27)12-18(17)30-21(23)22-19(24)11-14-5-7-15(28-2)8-6-14/h5-10,12H,4,11,13H2,1-3H3