S-[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl] 4-phenylbutanethioate

Systemtic Name: S-[(4S)-4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl] 4-phenylbutanethioate Openeye Name: S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 4-phenylbutanethioate CAS Name: 4-phenylbutanethioic acid S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] ester IUPAC Name: S-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl] 4-phenylbutanethioate Traditional Name: 4-phenylbutanethioic acid S-[(4S)-6-keto-4-methyl-4,5-dihydro-1H-pyrimidin-2-yl] ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(=N1)SC(=O)CCCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CC(=O)NC(=N1)SC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C15H18N2O2S/c1-11-10-13(18)17-15(16-11)20-14(19)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,16,17,18)/t11-/m0/s1