methyl 2-[2-(2,2-diphenylethanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2,2-diphenylethanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,2-diphenylacetyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-(1-oxo-2,2-diphenylethyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,2-diphenylacetyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,2-diphenylacetyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H22N2O5S2 MolecularWeight: 494.58258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O5S2/c1-32-22(28)16-27-20-14-13-19(34(2,30)31)15-21(20)33-25(27)26-24(29)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,23H,16H2,1-2H3