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

Systemtic Name: 1-butyl-2-[(2-cyanothiophen-3-yl)-phenyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Openeye Name: 1-butyl-2-[(2-cyano-3-thienyl)-phenyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid CAS Name: 1-butyl-2-[(2-cyano-3-thiophenyl)-phenylmethyl]-3-pyrrolo[2,3-b]pyridinecarboxylic acid IUPAC Name: 1-butyl-2-[(2-cyanothiophen-3-yl)-phenylmethyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Traditional Name: 1-butyl-2-[(2-cyano-3-thienyl)-phenyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1N=CC=C2)C(=O)O)C(C3=CC=CC=C3)C4=C(SC=C4)C#N

Isomeric SMILES

CCCCN1C(=C(C2=C1N=CC=C2)C(=O)O)C(C3=CC=CC=C3)C4=C(SC=C4)C#N

InChI

InChI=1S/C24H21N3O2S/c1-2-3-13-27-22(21(24(28)29)18-10-7-12-26-23(18)27)20(16-8-5-4-6-9-16)17-11-14-30-19(17)15-25/h4-12,14,20H,2-3,13H2,1H3,(H,28,29)