1,3-benzothiazol-2-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C18H15N3O4S2/c19-10-3-11-20-27(23,24)14-8-6-13(7-9-14)18(22)25-12-17-21-15-4-1-2-5-16(15)26-17/h1-2,4-9,20H,3,11-12H2