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

Systemtic Name: 2-[[5-(2,2-dicyanoethenyl)-3-methoxy-2-oxidanyl-phenyl]methylsulfanyl]benzoic acid Openeye Name: 2-[[5-(2,2-dicyanovinyl)-2-hydroxy-3-methoxy-phenyl]methylsulfanyl]benzoic acid CAS Name: 2-[[5-(2,2-dicyanoethenyl)-2-hydroxy-3-methoxyphenyl]methylthio]benzoic acid IUPAC Name: 2-[[5-(2,2-dicyanoethenyl)-2-hydroxy-3-methoxyphenyl]methylsulfanyl]benzoic acid Traditional Name: 2-[[5-(2,2-dicyanovinyl)-2-hydroxy-3-methoxy-benzyl]thio]benzoic acid Formula: C19H14N2O4S MolecularWeight: 366.39046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSC2=CC=CC=C2C(=O)O)C=C(C#N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1O)CSC2=CC=CC=C2C(=O)O)C=C(C#N)C#N

InChI

InChI=1S/C19H14N2O4S/c1-25-16-8-12(6-13(9-20)10-21)7-14(18(16)22)11-26-17-5-3-2-4-15(17)19(23)24/h2-8,22H,11H2,1H3,(H,23,24)