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

Systemtic Name: ethyl 4-[2-[[5-ethyl-4,6-bis(oxidanylidene)-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(5-ethyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-ethyl-4,6-dioxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-ethyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-ethyl-4,6-diketo-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC1C(=O)NC(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C17H19N3O5S/c1-3-12-14(22)19-17(20-15(12)23)26-9-13(21)18-11-7-5-10(6-8-11)16(24)25-4-2/h5-8,12H,3-4,9H2,1-2H3,(H,18,21)(H,19,20,22,23)