methyl 2-[4-oxidanylidene-2-(3-phenoxypropylsulfanyl)-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-(3-phenoxypropylsulfanyl)-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-(3-phenoxypropylsulfanyl)-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-(3-phenoxypropylthio)-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-(3-phenoxypropylsulfanyl)-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-(3-phenoxypropylthio)-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCCCOC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCCCOC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O4S/c1-21-15(20)11-12-10-14(19)18-16(17-12)23-9-5-8-22-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,17,18,19)