propyl 4-[2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid propyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)CC)C#N

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C(N2)CC)C#N

InChI

InChI=1S/C19H20N4O4S/c1-3-9-27-18(26)12-5-7-13(8-6-12)21-16(24)11-28-19-22-15(4-2)14(10-20)17(25)23-19/h5-8H,3-4,9,11H2,1-2H3,(H,21,24)(H,22,23,25)