(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoate CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoate Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]butyric acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)OC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)OC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H19N3O5S/c20-18(24)17(13-7-2-1-3-8-13)27-16(23)11-6-12-21-19-14-9-4-5-10-15(14)28(25,26)22-19/h1-5,7-10,17H,6,11-12H2,(H2,20,24)(H,21,22)