methyl 4-[[2-phenyl-2-(thiophen-2-ylcarbonylamino)ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-phenyl-2-(thiophen-2-ylcarbonylamino)ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-phenyl-2-(thiophene-2-carbonylamino)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-phenyl-2-(thiophene-2-carbonylamino)acetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-(2-thenoylamino)acetyl]amino]benzoic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H18N2O4S/c1-27-21(26)15-9-11-16(12-10-15)22-20(25)18(14-6-3-2-4-7-14)23-19(24)17-8-5-13-28-17/h2-13,18H,1H3,(H,22,25)(H,23,24)