ethyl 4-[(5-ethyl-6-naphthalen-1-yl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate

Systemtic Name: ethyl 4-[(5-ethyl-6-naphthalen-1-yl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: ethyl 4-[[5-ethyl-6-(1-naphthyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate CAS Name: 4-[[5-ethyl-6-(1-naphthalenyl)-4-oxo-1H-pyrimidin-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(5-ethyl-6-naphthalen-1-yl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 4-[[5-ethyl-4-keto-6-(1-naphthyl)-1H-pyrimidin-2-yl]thio]butyric acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCCCC(=O)OCC)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCCCC(=O)OCC)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O3S/c1-3-16-20(18-12-7-10-15-9-5-6-11-17(15)18)23-22(24-21(16)26)28-14-8-13-19(25)27-4-2/h5-7,9-12H,3-4,8,13-14H2,1-2H3,(H,23,24,26)