methyl 2-[[4-(4-fluorophenyl)sulfanyl-3-nitro-phenyl]carbonylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[4-(4-fluorophenyl)sulfanyl-3-nitro-phenyl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[4-(4-fluorophenyl)sulfanyl-3-nitro-benzoyl]amino]-2-methyl-propanoate CAS Name: 2-[[[4-[(4-fluorophenyl)thio]-3-nitrophenyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-fluorophenyl)sulfanyl-3-nitrobenzoyl]amino]-2-methylpropanoate Traditional Name: 2-[[4-[(4-fluorophenyl)thio]-3-nitro-benzoyl]amino]-2-methyl-propionic acid methyl ester Formula: C18H17FN2O5S MolecularWeight: 392.401383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN2O5S/c1-18(2,17(23)26-3)20-16(22)11-4-9-15(14(10-11)21(24)25)27-13-7-5-12(19)6-8-13/h4-10H,1-3H3,(H,20,22)