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

Systemtic Name: ethyl 4-[(4-oxidanylidene-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: ethyl 4-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: 4-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 4-[(4-keto-6-phenethyl-1H-pyrimidin-2-yl)thio]butyric acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC(=O)C=C(N1)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCSC1=NC(=O)C=C(N1)CCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3S/c1-2-23-17(22)9-6-12-24-18-19-15(13-16(21)20-18)11-10-14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,19,20,21)