prop-2-enyl 2-[5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: prop-2-enyl 2-[5-(phenylmethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: allyl 2-(5-benzylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[5-(phenylmethyl)-2-pyrimidinyl]thio]acetic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-(5-benzylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(5-benzylpyrimidin-2-yl)thio]acetic acid allyl ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)CSC1=NC=C(C=N1)CC2=CC=CC=C2

Isomeric SMILES

C=CCOC(=O)CSC1=NC=C(C=N1)CC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O2S/c1-2-8-20-15(19)12-21-16-17-10-14(11-18-16)9-13-6-4-3-5-7-13/h2-7,10-11H,1,8-9,12H2