N-(2-cyanoethyl)-N-phenyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetamide Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C18H15N3O4S/c19-11-6-12-20(14-7-2-1-3-8-14)17(22)13-21-18(23)15-9-4-5-10-16(15)26(21,24)25/h1-5,7-10H,6,12-13H2