ethyl 2-(4-chlorophenyl)carbothioylsulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-(4-chlorophenyl)carbothioylsulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(4-chlorobenzenecarbothioyl)sulfanyl-3-oxo-butanoate CAS Name: 2-[[(4-chlorophenyl)-sulfanylidenemethyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorobenzenecarbothioyl)sulfanyl-3-oxobutanoate Traditional Name: 2-[(4-chlorothiobenzoyl)thio]-3-keto-butyric acid ethyl ester Formula: C13H13ClO3S2 MolecularWeight: 316.82352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClO3S2/c1-3-17-12(16)11(8(2)15)19-13(18)9-4-6-10(14)7-5-9/h4-7,11H,3H2,1-2H3