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

Systemtic Name: methyl 1-butyl-2-[[4-(2-cyanothiophen-3-yl)phenyl]-oxidanyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylate Openeye Name: methyl 1-butyl-2-[[4-(2-cyano-3-thienyl)phenyl]-hydroxy-methyl]pyrrolo[2,3-b]pyridine-3-carboxylate CAS Name: 1-butyl-2-[[4-(2-cyano-3-thiophenyl)phenyl]-hydroxymethyl]-3-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-butyl-2-[[4-(2-cyanothiophen-3-yl)phenyl]-hydroxymethyl]pyrrolo[2,3-b]pyridine-3-carboxylate Traditional Name: 1-butyl-2-[[4-(2-cyano-3-thienyl)phenyl]-hydroxy-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O3S/c1-3-4-13-28-22(21(25(30)31-2)19-6-5-12-27-24(19)28)23(29)17-9-7-16(8-10-17)18-11-14-32-20(18)15-26/h5-12,14,23,29H,3-4,13H2,1-2H3