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

Systemtic Name: [2-butyl-3-ethanoyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazin-4-yl] 4-methylbenzoate Openeye Name: (3-acetyl-2-butyl-1,1-dioxo-1$l^{6},2-benzothiazin-4-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic 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) 4-methylbenzoate Traditional Name: 4-methylbenzoic 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)C3=CC=C(C=C3)C)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5S/c1-4-5-14-23-20(16(3)24)21(18-8-6-7-9-19(18)29(23,26)27)28-22(25)17-12-10-15(2)11-13-17/h6-13H,4-5,14H2,1-3H3