3-[[2-oxidanylidene-2-phenyl-1-(thiophen-2-ylcarbonylamino)ethyl]amino]benzoic acid

Systemtic Name: 3-[[2-oxidanylidene-2-phenyl-1-(thiophen-2-ylcarbonylamino)ethyl]amino]benzoic acid Openeye Name: 3-[[2-oxo-2-phenyl-1-(thiophene-2-carbonylamino)ethyl]amino]benzoic acid CAS Name: 3-[[2-oxo-1-[[oxo(thiophen-2-yl)methyl]amino]-2-phenylethyl]amino]benzoic acid IUPAC Name: 3-[[2-oxo-2-phenyl-1-(thiophene-2-carbonylamino)ethyl]amino]benzoic acid Traditional Name: 3-[[2-keto-2-phenyl-1-(2-thenoylamino)ethyl]amino]benzoic acid Formula: C20H16N2O4S MolecularWeight: 380.41704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(NC2=CC=CC(=C2)C(=O)O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H16N2O4S/c23-17(13-6-2-1-3-7-13)18(22-19(24)16-10-5-11-27-16)21-15-9-4-8-14(12-15)20(25)26/h1-12,18,21H,(H,22,24)(H,25,26)