(2S)-2-[(2-cyano-4-nitro-phenyl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(2-cyano-4-nitro-phenyl)amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-(2-cyano-4-nitro-anilino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(2-cyano-4-nitroanilino)-4-(methylthio)butanoate IUPAC Name: (2S)-2-(2-cyano-4-nitroanilino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(2-cyano-4-nitro-anilino)-4-(methylthio)butyrate Formula: C12H12N3O4S- MolecularWeight: 294.30638

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H13N3O4S/c1-20-5-4-11(12(16)17)14-10-3-2-9(15(18)19)6-8(10)7-13/h2-3,6,11,14H,4-5H2,1H3,(H,16,17)/p-1/t11-/m0/s1