(4-bromophenyl)methyl 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (4-bromophenyl)methyl 3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (4-bromophenyl)methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-phenyl-2-(2-thenoylamino)propionic acid (4-bromobenzyl) ester Formula: C21H18BrNO3S MolecularWeight: 444.34152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=C(C=C2)Br)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=C(C=C2)Br)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H18BrNO3S/c22-17-10-8-16(9-11-17)14-26-21(25)18(13-15-5-2-1-3-6-15)23-20(24)19-7-4-12-27-19/h1-12,18H,13-14H2,(H,23,24)