(3-propan-2-ylphenyl) 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethanoate

Systemtic Name: (3-propan-2-ylphenyl) 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethanoate Openeye Name: (3-isopropylphenyl) 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetate CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetate Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]acetic acid m-cumenyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC(=O)CNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H18N2O4S/c1-12(2)13-6-5-7-14(10-13)24-17(21)11-19-18-15-8-3-4-9-16(15)25(22,23)20-18/h3-10,12H,11H2,1-2H3,(H,19,20)