methyl 2-[6-ethoxy-2-(4-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-ethoxy-2-(4-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-(4-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(4-methylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-(4-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(4-mesylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)S2)CC(=O)OC

InChI

InChI=1S/C20H20N2O6S2/c1-4-28-14-7-10-16-17(11-14)29-20(22(16)12-18(23)27-2)21-19(24)13-5-8-15(9-6-13)30(3,25)26/h5-11H,4,12H2,1-3H3