ethyl 4-[2-(1H-perimidin-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(1H-perimidin-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1H-perimidin-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(1H-perimidin-2-ylthio)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1H-perimidin-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1H-perimidin-2-ylthio)acetyl]amino]benzoic acid ethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C22H19N3O3S/c1-2-28-21(27)15-9-11-16(12-10-15)23-19(26)13-29-22-24-17-7-3-5-14-6-4-8-18(25-22)20(14)17/h3-12H,2,13H2,1H3,(H,23,26)(H,24,25)