2-[(4-chlorophenyl)carbamothioylsulfanyl]-1-ethoxy-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: 2-[(4-chlorophenyl)carbamothioylsulfanyl]-1-ethoxy-3-oxidanylidene-but-1-en-1-olate Openeye Name: 2-[(4-chlorophenyl)carbamothioylsulfanyl]-1-ethoxy-3-oxo-but-1-en-1-olate CAS Name: 2-[[(4-chloroanilino)-sulfanylidenemethyl]thio]-1-ethoxy-3-oxo-1-buten-1-olate IUPAC Name: 2-[(4-chlorophenyl)carbamothioylsulfanyl]-1-ethoxy-3-oxobut-1-en-1-olate Traditional Name: 2-[(4-chlorophenyl)thiocarbamoylthio]-1-ethoxy-3-keto-but-1-en-1-olate Formula: C13H13ClNO3S2- MolecularWeight: 330.83022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO3S2/c1-3-18-12(17)11(8(2)16)20-13(19)15-10-6-4-9(14)5-7-10/h4-7,17H,3H2,1-2H3,(H,15,19)/p-1