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

Systemtic Name: [3-ethanoyl-1,1-bis(oxidanylidene)-2-prop-2-enyl-1$l^{6},2-benzothiazin-4-yl] 2-phenylethanoate Openeye Name: (3-acetyl-2-allyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) 2-phenylacetate CAS Name: 2-phenylacetic 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) 2-phenylacetate Traditional Name: 2-phenylacetic acid (3-acetyl-2-allyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1CC=C)OC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1CC=C)OC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H19NO5S/c1-3-13-22-20(15(2)23)21(17-11-7-8-12-18(17)28(22,25)26)27-19(24)14-16-9-5-4-6-10-16/h3-12H,1,13-14H2,2H3