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

Systemtic Name: 2-[(2-cyanothiophen-3-yl)-phenyl-methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid Openeye Name: 2-[(2-cyano-3-thienyl)-phenyl-methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid CAS Name: 2-[(2-cyano-3-thiophenyl)-phenylmethyl]-1-methyl-3-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 2-[(2-cyanothiophen-3-yl)-phenylmethyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid Traditional Name: 2-[(2-cyano-3-thienyl)-phenyl-methyl]-1-methyl-pyrrolo[2,3-b]pyridine-3-carboxylic acid Formula: C21H15N3O2S MolecularWeight: 373.4277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O2S/c1-24-19(18(21(25)26)15-8-5-10-23-20(15)24)17(13-6-3-2-4-7-13)14-9-11-27-16(14)12-22/h2-11,17H,1H3,(H,25,26)