[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c24-19(22-13-15-5-2-1-3-6-15)14-27-21(26)16-8-10-17(11-9-16)23-20(25)18-7-4-12-28-18/h1-12H,13-14H2,(H,22,24)(H,23,25)