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

Systemtic Name: ethyl 2-[(2-acetyloxy-5-bromanyl-phenyl)methylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-acetoxy-5-bromo-phenyl)methylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[(2-acetyloxy-5-bromophenyl)methylamino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetyloxy-5-bromophenyl)methylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-acetoxy-5-bromo-benzyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H22BrNO5S MolecularWeight: 504.39348

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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)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrNO5S/c1-4-29-23(27)21-19(15-5-8-18(28-3)9-6-15)13-31-22(21)25-12-16-11-17(24)7-10-20(16)30-14(2)26/h5-11,13,25H,4,12H2,1-3H3