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

Systemtic Name: ethyl 2-[bis(methylsulfanyl)methylidene]-4-(6-chloranyl-1,3-benzodioxol-5-yl)-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[bis(methylsulfanyl)methylene]-4-(6-chloro-1,3-benzodioxol-5-yl)-3-oxo-butanoate CAS Name: 2-[bis(methylthio)methylidene]-4-(6-chloro-1,3-benzodioxol-5-yl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[bis(methylsulfanyl)methylidene]-4-(6-chloro-1,3-benzodioxol-5-yl)-3-oxobutanoate Traditional Name: 2-[2-(6-chloro-1,3-benzodioxol-5-yl)acetyl]-3,3-bis(methylthio)acrylic acid ethyl ester Formula: C16H17ClO5S2 MolecularWeight: 388.88618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClO5S2/c1-4-20-15(19)14(16(23-2)24-3)11(18)5-9-6-12-13(7-10(9)17)22-8-21-12/h6-7H,4-5,8H2,1-3H3