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

Systemtic Name: ethyl 4-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(benzofuro[3,2-d]pyrimidin-4-ylthio)acetyl]amino]benzoic acid ethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2OC4=CC=CC=C43

InChI

InChI=1S/C21H17N3O4S/c1-2-27-21(26)13-7-9-14(10-8-13)24-17(25)11-29-20-19-18(22-12-23-20)15-5-3-4-6-16(15)28-19/h3-10,12H,2,11H2,1H3,(H,24,25)