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

Systemtic Name: [(2R)-2-methylbutyl] 2-azanyl-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: [(2R)-2-methylbutyl] 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 [(2R)-2-methylbutyl] ester IUPAC Name: [(2R)-2-methylbutyl] 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 [(2R)-2-methylbutyl] ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CS4)N

InChI

InChI=1S/C21H22N4O2S/c1-3-13(2)12-27-21(26)17-18-20(24-16-9-5-4-8-15(16)23-18)25(19(17)22)11-14-7-6-10-28-14/h4-10,13H,3,11-12,22H2,1-2H3/t13-/m1/s1