phenacyl 4-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]benzoate

Systemtic Name: phenacyl 4-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]benzoate Openeye Name: phenacyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]amino]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-keto-4H-1,4-benzothiazin-2-yl)acetyl]amino]benzoic acid phenacyl ester Formula: C25H20N2O5S MolecularWeight: 460.5017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C25H20N2O5S/c28-20(16-6-2-1-3-7-16)15-32-25(31)17-10-12-18(13-11-17)26-23(29)14-22-24(30)27-19-8-4-5-9-21(19)33-22/h1-13,22H,14-15H2,(H,26,29)(H,27,30)