ethyl 4-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

InChI

InChI=1S/C20H22N4O4S/c1-2-27-20(26)24-9-7-13(8-10-24)23-16(25)11-29-19-18-17(21-12-22-19)14-5-3-4-6-15(14)28-18/h3-6,12-13H,2,7-11H2,1H3,(H,23,25)