2-[[4-(2-cyanothiophen-3-yl)phenyl]-oxidanyl-methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid

Systemtic Name: 2-[[4-(2-cyanothiophen-3-yl)phenyl]-oxidanyl-methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid Openeye Name: 2-[[4-(2-cyano-3-thienyl)phenyl]-hydroxy-methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid CAS Name: 2-[[4-(2-cyano-3-thiophenyl)phenyl]-hydroxymethyl]-1-methyl-3-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 2-[[4-(2-cyanothiophen-3-yl)phenyl]-hydroxymethyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid Traditional Name: 2-[[4-(2-cyano-3-thienyl)phenyl]-hydroxy-methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1N=CC=C2)C(=O)O)C(C3=CC=C(C=C3)C4=C(SC=C4)C#N)O

Isomeric SMILES

CN1C(=C(C2=C1N=CC=C2)C(=O)O)C(C3=CC=C(C=C3)C4=C(SC=C4)C#N)O

InChI

InChI=1S/C21H15N3O3S/c1-24-18(17(21(26)27)15-3-2-9-23-20(15)24)19(25)13-6-4-12(5-7-13)14-8-10-28-16(14)11-22/h2-10,19,25H,1H3,(H,26,27)