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

Systemtic Name: [2-butyl-3-ethanoyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-yl] 2-phenylethanoate Openeye Name: (3-acetyl-2-butyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) 2-phenylacetate CAS Name: 2-phenylacetic 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-phenylacetate Traditional Name: 2-phenylacetic acid (3-acetyl-2-butyl-1,1-diketo-1$l^{6},2-benzothiazin-4-yl) ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)CC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)CC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C22H23NO5S/c1-3-4-14-23-21(16(2)24)22(18-12-8-9-13-19(18)29(23,26)27)28-20(25)15-17-10-6-5-7-11-17/h5-13H,3-4,14-15H2,1-2H3