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

Systemtic Name: methyl 2-[2-(3-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-methylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-mesylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S2/c1-25-16(21)11-20-14-8-3-4-9-15(14)26-18(20)19-17(22)12-6-5-7-13(10-12)27(2,23)24/h3-10H,11H2,1-2H3