methyl 2-[4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(E)-cinnamyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[(E)-3-phenylprop-2-enyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[(E)-cinnamyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC=CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SC/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O3S/c1-21-15(20)11-13-10-14(19)18-16(17-13)22-9-5-8-12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,17,18,19)/b8-5+