dimethyl 5-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H20N2O6S MolecularWeight: 476.5011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4O3)C(=O)OC

InChI

InChI=1S/C25H20N2O6S/c1-31-23(29)16-11-17(24(30)32-2)13-18(12-16)26-22(28)19-8-4-3-7-15(19)14-34-25-27-20-9-5-6-10-21(20)33-25/h3-13H,14H2,1-2H3,(H,26,28)