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

Systemtic Name: [3-ethanoyl-1,1-bis(oxidanylidene)-2-propan-2-yl-1$l^{6},2-benzothiazin-4-yl] 4-chloranylbenzoate Openeye Name: (3-acetyl-2-isopropyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (3-acetyl-1,1-dioxo-2-propan-2-yl-1$l^{6},2-benzothiazin-4-yl) ester IUPAC Name: (3-acetyl-1,1-dioxo-2-propan-2-yl-1$l^{6},2-benzothiazin-4-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (3-acetyl-2-isopropyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C20H18ClNO5S MolecularWeight: 419.87862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=C(C=C3)Cl)C(=O)C

Isomeric SMILES

CC(C)N1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C3=CC=C(C=C3)Cl)C(=O)C

InChI

InChI=1S/C20H18ClNO5S/c1-12(2)22-18(13(3)23)19(16-6-4-5-7-17(16)28(22,25)26)27-20(24)14-8-10-15(21)11-9-14/h4-12H,1-3H3