4-cyano-3-methyl-5-[2-[4-(phenylcarbonyl)phenoxy]ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 4-cyano-3-methyl-5-[2-[4-(phenylcarbonyl)phenoxy]ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 5-[[2-(4-benzoylphenoxy)acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[2-(4-benzoylphenoxy)-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-(4-benzoylphenoxy)acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[[2-(4-benzoylphenoxy)acetyl]amino]-4-cyano-3-methyl-2-thenoic acid Formula: C22H16N2O5S MolecularWeight: 420.43784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H16N2O5S/c1-13-17(11-23)21(30-20(13)22(27)28)24-18(25)12-29-16-9-7-15(8-10-16)19(26)14-5-3-2-4-6-14/h2-10H,12H2,1H3,(H,24,25)(H,27,28)