pentyl 2-azanyl-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 2-azanyl-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 2-amino-1-(2-thienylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(thiophen-2-ylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-amino-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(2-thenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CS4)N

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CS4)N

InChI

InChI=1S/C21H22N4O2S/c1-2-3-6-11-27-21(26)17-18-20(24-16-10-5-4-9-15(16)23-18)25(19(17)22)13-14-8-7-12-28-14/h4-5,7-10,12H,2-3,6,11,13,22H2,1H3