(2-phenyl-1,3-thiazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C20H17N3O4S2/c21-11-4-12-22-29(25,26)18-9-7-16(8-10-18)20(24)27-13-17-14-28-19(23-17)15-5-2-1-3-6-15/h1-3,5-10,14,22H,4,12-13H2