methyl 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]benzoate CAS Name: 2-[[2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 2-[[2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

InChI

InChI=1S/C20H15N3O4S/c1-26-20(25)12-6-2-4-8-14(12)23-16(24)10-28-19-18-17(21-11-22-19)13-7-3-5-9-15(13)27-18/h2-9,11H,10H2,1H3,(H,23,24)