ethyl 3-[[5-oxidanylidene-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate

Systemtic Name: ethyl 3-[[5-oxidanylidene-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate Openeye Name: ethyl 3-[[5-oxo-6-(2-thienylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate CAS Name: 3-[[5-oxo-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-oxo-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate Traditional Name: 3-[[5-keto-6-(2-thenyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4

InChI

InChI=1S/C21H19N3O3S/c1-2-27-21(26)14-6-3-7-15(12-14)23-19-18-17(9-4-10-22-18)20(25)24(19)13-16-8-5-11-28-16/h3-12,19,23H,2,13H2,1H3