2-[2-[[4-[(2S)-butan-2-yl]oxycarbonylphenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-[(2S)-butan-2-yl]oxycarbonylphenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-[2-[4-[(1S)-1-methylpropoxy]carbonylanilino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[[(2S)-butan-2-yl]oxy-oxomethyl]anilino]-2-oxoethyl]thio]-6-ethyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-[(2S)-butan-2-yl]oxycarbonylanilino]-2-oxoethyl]sulfanyl-6-ethylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-keto-2-[4-[(1S)-1-methylpropoxy]carbonylanilino]ethyl]thio]pyrimidin-4-olate Formula: C19H22N3O4S- MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)CC)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O[C@@H](C)CC)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-4-12(3)26-18(25)13-6-8-15(9-7-13)20-17(24)11-27-19-21-14(5-2)10-16(23)22-19/h6-10,12H,4-5,11H2,1-3H3,(H,20,24)(H,21,22,23)/p-1/t12-/m0/s1