ethyl (3R,4S)-5-azanyl-3-(4-chlorophenyl)-4-cyano-2-nitro-5-sulfanylidene-pentanoate

Systemtic Name: ethyl (3R,4S)-5-azanyl-3-(4-chlorophenyl)-4-cyano-2-nitro-5-sulfanylidene-pentanoate Openeye Name: ethyl (3R,4S)-5-amino-3-(4-chlorophenyl)-4-cyano-2-nitro-5-thioxo-pentanoate CAS Name: (3R,4S)-5-amino-3-(4-chlorophenyl)-4-cyano-2-nitro-5-sulfanylidenepentanoic acid ethyl ester IUPAC Name: ethyl (3R,4S)-5-amino-3-(4-chlorophenyl)-4-cyano-2-nitro-5-sulfanylidenepentanoate Traditional Name: (3R,4S)-5-amino-3-(4-chlorophenyl)-4-cyano-2-nitro-5-thioxo-valeric acid ethyl ester Formula: C14H14ClN3O4S MolecularWeight: 355.79666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)Cl)C(C#N)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C([C@@H](C1=CC=C(C=C1)Cl)[C@@H](C#N)C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN3O4S/c1-2-22-14(19)12(18(20)21)11(10(7-16)13(17)23)8-3-5-9(15)6-4-8/h3-6,10-12H,2H2,1H3,(H2,17,23)/t10-,11+,12?/m1/s1