tert-butyl 3-[[6-[3-(2-hydroxyethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]carbamoylamino]propanoate

Systemtic Name: tert-butyl 3-[[6-[3-(2-hydroxyethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]carbamoylamino]propanoate Openeye Name: tert-butyl 3-[[6-[3-(2-hydroxyethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]carbamoylamino]propanoate CAS Name: 3-[[[[6-[3-(2-hydroxyethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]amino]-oxomethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[6-[3-(2-hydroxyethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]carbamoylamino]propanoate Traditional Name: 3-[[6-[3-(2-hydroxyethylsulfamoyl)phenyl]-1,3-benzothiazol-2-yl]carbamoylamino]propionic acid tert-butyl ester Formula: C23H28N4O6S2 MolecularWeight: 520.62162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)NCCO

Isomeric SMILES

CC(C)(C)OC(=O)CCNC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)NCCO

InChI

InChI=1S/C23H28N4O6S2/c1-23(2,3)33-20(29)9-10-24-21(30)27-22-26-18-8-7-16(14-19(18)34-22)15-5-4-6-17(13-15)35(31,32)25-11-12-28/h4-8,13-14,25,28H,9-12H2,1-3H3,(H2,24,26,27,30)