ethyl 2-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-hydroxy-phenyl)methylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[(5-bromo-2-hydroxyphenyl)methylamino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-hydroxyphenyl)methylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-hydroxy-benzyl)amino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H22BrNO5S MolecularWeight: 492.38278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NCC3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NCC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C22H22BrNO5S/c1-4-29-22(26)20-16(13-5-8-18(27-2)19(10-13)28-3)12-30-21(20)24-11-14-9-15(23)6-7-17(14)25/h5-10,12,24-25H,4,11H2,1-3H3