methyl 2-[2-(2-phenylethanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-phenylethanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-phenylacetyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-(1-oxo-2-phenylethyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-phenylacetyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-phenylacetyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O5S2/c1-26-17(23)11-21-14-8-7-13(28(19,24)25)10-15(14)27-18(21)20-16(22)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H2,19,24,25)