methyl 5-[2-cyano-3,3-bis(methylsulfanyl)prop-2-enoyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[2-cyano-3,3-bis(methylsulfanyl)prop-2-enoyl]-2-oxidanyl-benzoate Openeye Name: methyl 5-[2-cyano-3,3-bis(methylsulfanyl)prop-2-enoyl]-2-hydroxy-benzoate CAS Name: 5-[2-cyano-3,3-bis(methylthio)-1-oxoprop-2-enyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 5-[2-cyano-3,3-bis(methylsulfanyl)prop-2-enoyl]-2-hydroxybenzoate Traditional Name: 5-[2-cyano-3,3-bis(methylthio)acryloyl]-2-hydroxy-benzoic acid methyl ester Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(=O)C(=C(SC)SC)C#N)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(=O)C(=C(SC)SC)C#N)O

InChI

InChI=1S/C14H13NO4S2/c1-19-13(18)9-6-8(4-5-11(9)16)12(17)10(7-15)14(20-2)21-3/h4-6,16H,1-3H3