4-cyano-3-(4-methoxyphenyl)-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-cyano-3-(4-methoxyphenyl)-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-cyano-3-(4-methoxyphenyl)-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-cyano-3-(4-methoxyphenyl)-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-cyano-3-(4-methoxyphenyl)-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-cyano-3-(4-methoxyphenyl)-5-(methylthio)-2-thenoic acid Formula: C14H11NO3S2 MolecularWeight: 305.37204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SC(=C2C#N)SC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SC(=C2C#N)SC)C(=O)O

InChI

InChI=1S/C14H11NO3S2/c1-18-9-5-3-8(4-6-9)11-10(7-15)14(19-2)20-12(11)13(16)17/h3-6H,1-2H3,(H,16,17)