methyl 2-[2-[2-(4-methylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(4-methylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-methylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(4-mesylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)CN1C2=CC=CC=C2SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H18N2O5S2/c1-26-18(23)12-21-15-5-3-4-6-16(15)27-19(21)20-17(22)11-13-7-9-14(10-8-13)28(2,24)25/h3-10H,11-12H2,1-2H3