5-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate

Systemtic Name: 5-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate Openeye Name: 5-(4-bromophenyl)-3-(tert-butoxycarbonylamino)thiophene-2-carboxylate CAS Name: 5-(4-bromophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-thiophenecarboxylate IUPAC Name: 5-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate Traditional Name: 5-(4-bromophenyl)-3-(tert-butoxycarbonylamino)-2-thenoate Formula: C16H15BrNO4S- MolecularWeight: 397.2636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(SC(=C1)C2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(SC(=C1)C2=CC=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C16H16BrNO4S/c1-16(2,3)22-15(21)18-11-8-12(23-13(11)14(19)20)9-4-6-10(17)7-5-9/h4-8H,1-3H3,(H,18,21)(H,19,20)/p-1