(Z,2S,3R)-3-(4-chlorophenyl)-2-cyano-5-ethoxy-4-nitro-5-oxidanyl-pent-4-enethioamide

Systemtic Name: (Z,2S,3R)-3-(4-chlorophenyl)-2-cyano-5-ethoxy-4-nitro-5-oxidanyl-pent-4-enethioamide Openeye Name: (Z,2S,3R)-3-(4-chlorophenyl)-2-cyano-5-ethoxy-5-hydroxy-4-nitro-pent-4-enethioamide CAS Name: (Z,2S,3R)-3-(4-chlorophenyl)-2-cyano-5-ethoxy-5-hydroxy-4-nitro-4-pentenethioamide IUPAC Name: (Z,2S,3R)-3-(4-chlorophenyl)-2-cyano-5-ethoxy-5-hydroxy-4-nitropent-4-enethioamide Traditional Name: (Z,2S,3R)-3-(4-chlorophenyl)-2-cyano-5-ethoxy-5-hydroxy-4-nitro-pent-4-enethioamide Formula: C14H14ClN3O4S MolecularWeight: 355.79666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCO/C(=C(/[C@@H](C1=CC=C(C=C1)Cl)[C@@H](C#N)C(=S)N)\[N+](=O)[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/h3-6,10-11,19H,2H2,1H3,(H2,17,23)/b14-12-/t10-,11+/m1/s1