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

Systemtic Name: [2-butyl-3-ethanoyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-yl] 2-chloranylbenzoate Openeye Name: (3-acetyl-2-butyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) 2-chlorobenzoate CAS Name: 2-chlorobenzoic 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) 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid (3-acetyl-2-butyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C21H20ClNO5S MolecularWeight: 433.9052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=CC=C3Cl)C(=O)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=CC=C3Cl)C(=O)C

InChI

InChI=1S/C21H20ClNO5S/c1-3-4-13-23-19(14(2)24)20(16-10-6-8-12-18(16)29(23,26)27)28-21(25)15-9-5-7-11-17(15)22/h5-12H,3-4,13H2,1-2H3