ethyl 5-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylate Openeye Name: ethyl 5-[(2-benzyloxy-5-bromo-phenyl)methyl-tert-butoxycarbonyl-amino]thiophene-2-carboxylate CAS Name: 5-[(5-bromo-2-phenylmethoxyphenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(5-bromo-2-phenylmethoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylate Traditional Name: 5-[(2-benzoxy-5-bromo-benzyl)-tert-butoxycarbonyl-amino]thiophene-2-carboxylic acid ethyl ester Formula: C26H28BrNO5S MolecularWeight: 546.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)N(CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)N(CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H28BrNO5S/c1-5-31-24(29)22-13-14-23(34-22)28(25(30)33-26(2,3)4)16-19-15-20(27)11-12-21(19)32-17-18-9-7-6-8-10-18/h6-15H,5,16-17H2,1-4H3