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

Systemtic Name: ethyl 2-[2-(2,2-diphenylethanoylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H24N2O5S2 MolecularWeight: 508.60916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C26H24N2O5S2/c1-3-33-23(29)17-28-21-15-14-20(35(2,31)32)16-22(21)34-26(28)27-25(30)24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,24H,3,17H2,1-2H3