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

Systemtic Name: (phenylmethyl) 2-azanyl-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=CS5)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC=CS5)N

InChI

InChI=1S/C23H18N4O2S/c24-21-19(23(28)29-14-15-7-2-1-3-8-15)20-22(27(21)13-16-9-6-12-30-16)26-18-11-5-4-10-17(18)25-20/h1-12H,13-14,24H2