methyl 2-(6-methylsulfonyl-2-naphthalen-1-ylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(6-methylsulfonyl-2-naphthalen-1-ylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-[6-methylsulfonyl-2-(naphthalene-1-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[1-naphthalenyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methylsulfonyl-2-(naphthalene-1-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-(1-naphthoylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H18N2O5S2 MolecularWeight: 454.51872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H18N2O5S2/c1-29-20(25)13-24-18-11-10-15(31(2,27)28)12-19(18)30-22(24)23-21(26)17-9-5-7-14-6-3-4-8-16(14)17/h3-12H,13H2,1-2H3