tert-butyl (5E)-6-chloranyl-3-[(E)-3-chloranylprop-2-enethioyl]-2-cyano-4-sulfanylidene-hexa-2,5-dienoate

Systemtic Name: tert-butyl (5E)-6-chloranyl-3-[(E)-3-chloranylprop-2-enethioyl]-2-cyano-4-sulfanylidene-hexa-2,5-dienoate Openeye Name: tert-butyl (5E)-6-chloro-3-[(E)-3-chloroprop-2-enethioyl]-2-cyano-4-thioxo-hexa-2,5-dienoate CAS Name: (5E)-6-chloro-3-[(E)-3-chloro-1-sulfanylideneprop-2-enyl]-2-cyano-4-sulfanylidenehexa-2,5-dienoic acid tert-butyl ester IUPAC Name: tert-butyl (5E)-6-chloro-3-[(E)-3-chloroprop-2-enethioyl]-2-cyano-4-sulfanylidenehexa-2,5-dienoate Traditional Name: (5E)-6-chloro-3-[(E)-3-chlorothioacryloyl]-2-cyano-4-thioxo-hexa-2,5-dienoic acid tert-butyl ester Formula: C14H13Cl2NO2S2 MolecularWeight: 362.29452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=C(C(=S)C=CCl)C(=S)C=CCl)C#N

Isomeric SMILES

CC(OC(=O)C(=C(C(=S)/C=C/Cl)C(=S)/C=C/Cl)C#N)(C)C

InChI

InChI=1S/C14H13Cl2NO2S2/c1-14(2,3)19-13(18)9(8-17)12(10(20)4-6-15)11(21)5-7-16/h4-7H,1-3H3/b6-4+,7-5+