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

Systemtic Name: nonyl 2-azanyl-1-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: nonyl 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 nonyl ester IUPAC Name: nonyl 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 nonyl ester Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2S/c1-2-3-4-5-6-7-10-15-31-25(30)21-22-24(28-20-14-9-8-13-19(20)27-22)29(23(21)26)17-18-12-11-16-32-18/h8-9,11-14,16H,2-7,10,15,17,26H2,1H3