methyl 3-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate CAS Name: 3-[[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]amino]benzoate Traditional Name: 3-[[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O4S/c1-28-22(27)15-8-6-9-17(13-15)24-21(26)18-10-3-2-7-16(18)14-30-23-25-19-11-4-5-12-20(19)29-23/h2-13H,14H2,1H3,(H,24,26)