[4-chloranyl-2-(phenylmethyl)phenyl] 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (2-benzyl-4-chloro-phenyl) 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid (2-benzyl-4-chloro-phenyl) ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)CCNC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)CCNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H18ClNO3S/c22-17-8-9-18(16(14-17)13-15-5-2-1-3-6-15)26-20(24)10-11-23-21(25)19-7-4-12-27-19/h1-9,12,14H,10-11,13H2,(H,23,25)