ethyl 2-[2-[(4-fluoranyl-3-nitro-phenyl)amino]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-fluoranyl-3-nitro-phenyl)amino]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-fluoro-3-nitro-anilino)acetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-fluoro-3-nitroanilino)-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-fluoro-3-nitroanilino)acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-fluoro-3-nitro-anilino)acetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H20FN3O5S MolecularWeight: 409.431903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CNC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)CNC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H20FN3O5S/c1-4-27-18(24)12-8-15(10(2)3)28-17(12)21-16(23)9-20-11-5-6-13(19)14(7-11)22(25)26/h5-8,10,20H,4,9H2,1-3H3,(H,21,23)