methyl 4,5-dimethoxy-2-[2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-(3-morpholinoquinoxalin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[[3-(4-morpholinyl)-2-quinoxalinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-(3-morpholin-4-ylquinoxalin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-[(3-morpholinoquinoxalin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C24H26N4O6S MolecularWeight: 498.55144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCOCC4)OC

InChI

InChI=1S/C24H26N4O6S/c1-31-19-12-15(24(30)33-3)18(13-20(19)32-2)25-21(29)14-35-23-22(28-8-10-34-11-9-28)26-16-6-4-5-7-17(16)27-23/h4-7,12-13H,8-11,14H2,1-3H3,(H,25,29)