(2R)-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: (2R)-2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: (2R)-2-[2-[(2-amino-2-oxoethyl)thio]anilino]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: (2R)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: (2R)-2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C17H17FN4O4S MolecularWeight: 392.404683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C17H17FN4O4S/c1-10(20-13-4-2-3-5-15(13)27-9-16(19)23)17(24)21-11-6-7-12(18)14(8-11)22(25)26/h2-8,10,20H,9H2,1H3,(H2,19,23)(H,21,24)/t10-/m1/s1