methyl 5-morpholin-4-yl-2-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]benzoate

Systemtic Name: methyl 5-morpholin-4-yl-2-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]benzoate Openeye Name: methyl 5-morpholino-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate CAS Name: 5-(4-morpholinyl)-2-[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-morpholin-4-yl-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate Traditional Name: 2-[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]-5-morpholino-benzoic acid methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2CCOCC2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O5S/c1-30-23(29)17-14-16(25-10-12-31-13-11-25)6-7-18(17)24-21(27)8-9-26-19-4-2-3-5-20(19)32-15-22(26)28/h2-7,14H,8-13,15H2,1H3,(H,24,27)