dimethyl 5-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-imidazo[1,5-a]pyridin-3-ylsulfanylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(3-imidazo[1,5-a]pyridinylthio)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(imidazo[1,5-a]pyridin-3-ylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=C3N2C=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=C3N2C=CC=C3)C(=O)OC

InChI

InChI=1S/C19H17N3O5S/c1-26-17(24)12-7-13(18(25)27-2)9-14(8-12)21-16(23)11-28-19-20-10-15-5-3-4-6-22(15)19/h3-10H,11H2,1-2H3,(H,21,23)