ethyl 3-[2-(2,2-diphenylethanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(2,2-diphenylethanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2,2-diphenylacetyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-(1-oxo-2,2-diphenylethyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,2-diphenylacetyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,2-diphenylacetyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C26H25N3O5S2 MolecularWeight: 523.6238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5S2/c1-2-34-23(30)15-16-29-21-14-13-20(36(27,32)33)17-22(21)35-26(29)28-25(31)24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,24H,2,15-16H2,1H3,(H2,27,32,33)