[2-butyl-3-ethanoyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-yl] benzoate

Systemtic Name: [2-butyl-3-ethanoyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-yl] benzoate Openeye Name: (3-acetyl-2-butyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) benzoate CAS Name: benzoic acid (3-acetyl-2-butyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) ester IUPAC Name: (3-acetyl-2-butyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) benzoate Traditional Name: benzoic acid (3-acetyl-2-butyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H21NO5S/c1-3-4-14-22-19(15(2)23)20(27-21(24)16-10-6-5-7-11-16)17-12-8-9-13-18(17)28(22,25)26/h5-13H,3-4,14H2,1-2H3