tert-butyl 4-(3-cyanopropyl)-2,3-dipropyl-5-thiophen-2-yl-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 4-(3-cyanopropyl)-2,3-dipropyl-5-thiophen-2-yl-pyrrole-1-carboxylate Openeye Name: tert-butyl 4-(3-cyanopropyl)-2,3-dipropyl-5-(2-thienyl)pyrrole-1-carboxylate CAS Name: 4-(3-cyanopropyl)-2,3-dipropyl-5-thiophen-2-yl-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-cyanopropyl)-2,3-dipropyl-5-thiophen-2-ylpyrrole-1-carboxylate Traditional Name: 4-(3-cyanopropyl)-2,3-dipropyl-5-(2-thienyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C23H32N2O2S MolecularWeight: 400.57738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=C1CCCC#N)C2=CC=CS2)C(=O)OC(C)(C)C)CCC

Isomeric SMILES

CCCC1=C(N(C(=C1CCCC#N)C2=CC=CS2)C(=O)OC(C)(C)C)CCC

InChI

InChI=1S/C23H32N2O2S/c1-6-11-17-18(13-8-9-15-24)21(20-14-10-16-28-20)25(19(17)12-7-2)22(26)27-23(3,4)5/h10,14,16H,6-9,11-13H2,1-5H3