2-[bis(methylsulfanyl)methylidene]-4-(6-chloranyl-1,3-benzodioxol-5-yl)-3-oxidanylidene-butanoic acid

Systemtic Name: 2-[bis(methylsulfanyl)methylidene]-4-(6-chloranyl-1,3-benzodioxol-5-yl)-3-oxidanylidene-butanoic acid Openeye Name: 2-[bis(methylsulfanyl)methylene]-4-(6-chloro-1,3-benzodioxol-5-yl)-3-oxo-butanoic acid CAS Name: 2-[bis(methylthio)methylidene]-4-(6-chloro-1,3-benzodioxol-5-yl)-3-oxobutanoic acid IUPAC Name: 2-[bis(methylsulfanyl)methylidene]-4-(6-chloro-1,3-benzodioxol-5-yl)-3-oxobutanoic acid Traditional Name: 2-[2-(6-chloro-1,3-benzodioxol-5-yl)acetyl]-3,3-bis(methylthio)acrylic acid Formula: C14H13ClO5S2 MolecularWeight: 360.83302

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C(=O)CC1=CC2=C(C=C1Cl)OCO2)C(=O)O)SC

Isomeric SMILES

CSC(=C(C(=O)CC1=CC2=C(C=C1Cl)OCO2)C(=O)O)SC

InChI

InChI=1S/C14H13ClO5S2/c1-21-14(22-2)12(13(17)18)9(16)3-7-4-10-11(5-8(7)15)20-6-19-10/h4-5H,3,6H2,1-2H3,(H,17,18)