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

Systemtic Name: methyl 4-[[5-oxidanylidene-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate Openeye Name: methyl 4-[[5-oxo-6-(2-thienylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate CAS Name: 4-[[5-oxo-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-oxo-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate Traditional Name: 4-[[5-keto-6-(2-thenyl)-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoic acid methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S/c1-26-20(25)13-6-8-14(9-7-13)22-18-17-16(5-2-10-21-17)19(24)23(18)12-15-4-3-11-27-15/h2-11,18,22H,12H2,1H3