ethyl 2-[[3,5-bis(chloranyl)phenyl]carbamothioylsulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[[3,5-bis(chloranyl)phenyl]carbamothioylsulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(3,5-dichlorophenyl)carbamothioylsulfanyl]-3-oxo-butanoate CAS Name: 2-[[(3,5-dichloroanilino)-sulfanylidenemethyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dichlorophenyl)carbamothioylsulfanyl]-3-oxobutanoate Traditional Name: 2-[(3,5-dichlorophenyl)thiocarbamoylthio]-3-keto-butyric acid ethyl ester Formula: C13H13Cl2NO3S2 MolecularWeight: 366.28322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h4-6,11H,3H2,1-2H3,(H,16,20)