butyl 4-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]benzoate Openeye Name: butyl 4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate Traditional Name: 4-[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]benzoic acid butyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O4S/c1-2-3-14-28-22(27)16-8-10-17(11-9-16)23-20(25)12-13-24-18-6-4-5-7-19(18)29-15-21(24)26/h4-11H,2-3,12-15H2,1H3,(H,23,25)