ethyl 5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[(2-benzyloxy-5-bromo-phenyl)methylamino]thiophene-2-carboxylate CAS Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-bromo-2-phenylmethoxyphenyl)methylamino]thiophene-2-carboxylate Traditional Name: 5-[(2-benzoxy-5-bromo-benzyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C21H20BrNO3S MolecularWeight: 446.3574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20BrNO3S/c1-2-25-21(24)19-10-11-20(27-19)23-13-16-12-17(22)8-9-18(16)26-14-15-6-4-3-5-7-15/h3-12,23H,2,13-14H2,1H3