2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl benzoate

Systemtic Name: 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl benzoate Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl ester IUPAC Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c1-2-6-13-11-14(19)18-16(17-13)22-10-9-21-15(20)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,17,18,19)