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

Systemtic Name: [3-ethanoyl-1,1-bis(oxidanylidene)-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl] 4-chloranylbenzoate Openeye Name: (3-acetyl-2-allyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (3-acetyl-1,1-dioxo-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl) ester IUPAC Name: (3-acetyl-1,1-dioxo-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (3-acetyl-2-allyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C20H16ClNO5S MolecularWeight: 417.86274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1CC=C)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1CC=C)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClNO5S/c1-3-12-22-18(13(2)23)19(16-6-4-5-7-17(16)28(22,25)26)27-20(24)14-8-10-15(21)11-9-14/h3-11H,1,12H2,2H3