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

Systemtic Name: ethyl 2-[(5-bromanyl-2-oxidanyl-phenyl)methylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-hydroxy-phenyl)methylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[(5-bromo-2-hydroxyphenyl)methylamino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-hydroxyphenyl)methylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-hydroxy-benzyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H20BrNO4S MolecularWeight: 462.3568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO4S/c1-3-27-21(25)19-17(13-4-7-16(26-2)8-5-13)12-28-20(19)23-11-14-10-15(22)6-9-18(14)24/h4-10,12,23-24H,3,11H2,1-2H3