methyl 3-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylpropanoate Openeye Name: methyl 3-[(E)-3-(4-chlorophenyl)-3-oxo-1-sulfanyl-prop-1-enyl]sulfanylpropanoate CAS Name: 3-[[(E)-3-(4-chlorophenyl)-1-mercapto-3-oxoprop-1-enyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(E)-3-(4-chlorophenyl)-3-oxo-1-sulfanylprop-1-enyl]sulfanylpropanoate Traditional Name: 3-[[(E)-3-(4-chlorophenyl)-3-keto-1-mercapto-prop-1-enyl]thio]propionic acid methyl ester Formula: C13H13ClO3S2 MolecularWeight: 316.82352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(=CC(=O)C1=CC=C(C=C1)Cl)S

Isomeric SMILES

COC(=O)CCS/C(=C/C(=O)C1=CC=C(C=C1)Cl)/S

InChI

InChI=1S/C13H13ClO3S2/c1-17-12(16)6-7-19-13(18)8-11(15)9-2-4-10(14)5-3-9/h2-5,8,18H,6-7H2,1H3/b13-8+