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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(2-cyanoethylsulfamoyl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(2-cyanoethylsulfamoyl)benzoate CAS Name: 3-(2-cyanoethylsulfamoyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 3-(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(=CC=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

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

InChI

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