ethyl 8-[(4-oxidanylidene-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]octanoate

Systemtic Name: ethyl 8-[(4-oxidanylidene-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]octanoate Openeye Name: ethyl 8-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]octanoate CAS Name: 8-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)thio]octanoic acid ethyl ester IUPAC Name: ethyl 8-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]octanoate Traditional Name: 8-[(4-keto-6-phenethyl-1H-pyrimidin-2-yl)thio]caprylic acid ethyl ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCSC1=NC(=O)C=C(N1)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCCCCCCSC1=NC(=O)C=C(N1)CCC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O3S/c1-2-27-21(26)13-9-4-3-5-10-16-28-22-23-19(17-20(25)24-22)15-14-18-11-7-6-8-12-18/h6-8,11-12,17H,2-5,9-10,13-16H2,1H3,(H,23,24,25)