ethyl 2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H23BrN2O6S MolecularWeight: 547.41822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)COC3=C(C=C(C=C3)Br)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)COC3=C(C=C(C=C3)Br)C(C)C

InChI

InChI=1S/C24H23BrN2O6S/c1-4-32-24(29)22-19(15-6-5-7-17(10-15)27(30)31)13-34-23(22)26-21(28)12-33-20-9-8-16(25)11-18(20)14(2)3/h5-11,13-14H,4,12H2,1-3H3,(H,26,28)