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

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: (2-benzyl-4-chloro-phenyl) 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid (2-benzyl-4-chloro-phenyl) ester Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)OC(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C22H20ClNO3S/c23-19-8-9-20(18(14-19)13-16-5-2-1-3-6-16)27-21(25)7-4-11-24-22(26)17-10-12-28-15-17/h1-3,5-6,8-10,12,14-15H,4,7,11,13H2,(H,24,26)