(3-cyanophenyl) 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate

Systemtic Name: (3-cyanophenyl) 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: (3-cyanophenyl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid (3-cyanophenyl) ester Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H13N3O4S/c18-11-12-4-3-5-13(10-12)24-16(21)8-9-19-17-14-6-1-2-7-15(14)25(22,23)20-17/h1-7,10H,8-9H2,(H,19,20)