methyl 5-(3-aminophenyl)-4-bromanyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]thiophene-2-carboxylate

Systemtic Name: methyl 5-(3-aminophenyl)-4-bromanyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]thiophene-2-carboxylate Openeye Name: methyl 5-(3-aminophenyl)-4-bromo-3-(2-tert-butoxy-2-oxo-ethoxy)thiophene-2-carboxylate CAS Name: 5-(3-aminophenyl)-4-bromo-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(3-aminophenyl)-4-bromo-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]thiophene-2-carboxylate Traditional Name: 5-(3-aminophenyl)-4-bromo-3-(2-tert-butoxy-2-keto-ethoxy)thiophene-2-carboxylic acid methyl ester Formula: C18H20BrNO5S MolecularWeight: 442.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)N)C(=O)OC

InChI

InChI=1S/C18H20BrNO5S/c1-18(2,3)25-12(21)9-24-14-13(19)15(26-16(14)17(22)23-4)10-6-5-7-11(20)8-10/h5-8H,9,20H2,1-4H3