2-[[3,5-bis(chloranyl)phenyl]carbamothioylsulfanyl]-1-ethoxy-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: 2-[[3,5-bis(chloranyl)phenyl]carbamothioylsulfanyl]-1-ethoxy-3-oxidanylidene-but-1-en-1-olate Openeye Name: 2-[(3,5-dichlorophenyl)carbamothioylsulfanyl]-1-ethoxy-3-oxo-but-1-en-1-olate CAS Name: 2-[[(3,5-dichloroanilino)-sulfanylidenemethyl]thio]-1-ethoxy-3-oxo-1-buten-1-olate IUPAC Name: 2-[(3,5-dichlorophenyl)carbamothioylsulfanyl]-1-ethoxy-3-oxobut-1-en-1-olate Traditional Name: 2-[(3,5-dichlorophenyl)thiocarbamoylthio]-1-ethoxy-3-keto-but-1-en-1-olate Formula: C13H12Cl2NO3S2- MolecularWeight: 365.27528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C)SC(=S)NC1=CC(=CC(=C1)Cl)Cl)[O-]

Isomeric SMILES

CCOC(=C(C(=O)C)SC(=S)NC1=CC(=CC(=C1)Cl)Cl)[O-]

InChI

InChI=1S/C13H13Cl2NO3S2/c1-3-19-12(18)11(7(2)17)21-13(20)16-10-5-8(14)4-9(15)6-10/h4-6,18H,3H2,1-2H3,(H,16,20)/p-1