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

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate Openeye Name: (2-isopropoxy-2-oxo-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-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 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-isopropoxy-2-keto-ethyl) ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)CCCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CC(C)OC(=O)COC(=O)CCCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H20N2O6S/c1-11(2)24-15(20)10-23-14(19)8-5-9-17-16-12-6-3-4-7-13(12)25(21,22)18-16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,18)