methyl 3-(2-phenylethanoylamino)-5-[(1,2,5-thiadiazol-3-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 3-(2-phenylethanoylamino)-5-[(1,2,5-thiadiazol-3-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-[(2-phenylacetyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]-5-[[[oxo(1,2,5-thiadiazol-3-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-phenylacetyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoate Traditional Name: 3-[(2-phenylacetyl)amino]-5-[(1,2,5-thiadiazole-3-carbonylamino)methyl]benzoic acid methyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=CC=C2)CNC(=O)C3=NSN=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2=CC=CC=C2)CNC(=O)C3=NSN=C3

InChI

InChI=1S/C20H18N4O4S/c1-28-20(27)15-7-14(11-21-19(26)17-12-22-29-24-17)8-16(10-15)23-18(25)9-13-5-3-2-4-6-13/h2-8,10,12H,9,11H2,1H3,(H,21,26)(H,23,25)