(4-bromanyl-2-chloranyl-phenyl) 3-acetamido-3-thiophen-2-yl-propanoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 3-acetamido-3-thiophen-2-yl-propanoate Openeye Name: (4-bromo-2-chloro-phenyl) 3-acetamido-3-(2-thienyl)propanoate CAS Name: 3-acetamido-3-thiophen-2-ylpropanoic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 3-acetamido-3-thiophen-2-ylpropanoate Traditional Name: 3-acetamido-3-(2-thienyl)propionic acid (4-bromo-2-chloro-phenyl) ester Formula: C15H13BrClNO3S MolecularWeight: 402.69062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OC1=C(C=C(C=C1)Br)Cl)C2=CC=CS2

Isomeric SMILES

CC(=O)NC(CC(=O)OC1=C(C=C(C=C1)Br)Cl)C2=CC=CS2

InChI

InChI=1S/C15H13BrClNO3S/c1-9(19)18-12(14-3-2-6-22-14)8-15(20)21-13-5-4-10(16)7-11(13)17/h2-7,12H,8H2,1H3,(H,18,19)