pentyl 2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: pentyl 2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: pentyl 2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid amyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2)CCC

Isomeric SMILES

CCCCCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2)CCC

InChI

InChI=1S/C21H27N3O4S/c1-3-5-8-12-28-20(27)16-10-6-7-11-17(16)23-19(26)14-29-21-22-15(9-4-2)13-18(25)24-21/h6-7,10-11,13H,3-5,8-9,12,14H2,1-2H3,(H,23,26)(H,22,24,25)