propyl 4-[2-azanyl-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate

Systemtic Name: propyl 4-[2-azanyl-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: propyl 4-[2-amino-3-(2-thienylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[oxo-(thiophen-2-ylmethylamino)methyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid propyl ester IUPAC Name: propyl 4-[2-amino-3-(thiophen-2-ylmethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(2-thenylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid propyl ester Formula: C26H23N5O3S MolecularWeight: 485.55752

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CS5)N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CS5)N

InChI

InChI=1S/C26H23N5O3S/c1-2-13-34-26(33)16-9-11-17(12-10-16)31-23(27)21(25(32)28-15-18-6-5-14-35-18)22-24(31)30-20-8-4-3-7-19(20)29-22/h3-12,14H,2,13,15,27H2,1H3,(H,28,32)