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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

InChI

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