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

Systemtic Name: methyl 1-butyl-2-[(2-cyanothiophen-3-yl)-phenyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylate Openeye Name: methyl 1-butyl-2-[(2-cyano-3-thienyl)-phenyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylate CAS Name: 1-butyl-2-[(2-cyano-3-thiophenyl)-phenylmethyl]-3-pyrrolo[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-butyl-2-[(2-cyanothiophen-3-yl)-phenylmethyl]pyrrolo[2,3-b]pyridine-3-carboxylate Traditional Name: 1-butyl-2-[(2-cyano-3-thienyl)-phenyl-methyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid methyl ester Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2S/c1-3-4-14-28-23(22(25(29)30-2)19-11-8-13-27-24(19)28)21(17-9-6-5-7-10-17)18-12-15-31-20(18)16-26/h5-13,15,21H,3-4,14H2,1-2H3