2-[[5-(2,2-dicyanoethenyl)-3-methoxy-2-oxidanyl-phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(2,2-dicyanoethenyl)-3-methoxy-2-oxidanyl-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-(2,2-dicyanovinyl)-2-hydroxy-3-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-(2,2-dicyanoethenyl)-2-hydroxy-3-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-(2,2-dicyanoethenyl)-2-hydroxy-3-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-(2,2-dicyanovinyl)-2-hydroxy-3-methoxy-benzyl]thio]acetic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSCC(=O)O)C=C(C#N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1O)CSCC(=O)O)C=C(C#N)C#N

InChI

InChI=1S/C14H12N2O4S/c1-20-12-4-9(2-10(5-15)6-16)3-11(14(12)19)7-21-8-13(17)18/h2-4,19H,7-8H2,1H3,(H,17,18)