S-[4-(4-methoxyphenyl)pyrimidin-2-yl] heptanethioate

Systemtic Name: S-[4-(4-methoxyphenyl)pyrimidin-2-yl] heptanethioate Openeye Name: S-[4-(4-methoxyphenyl)pyrimidin-2-yl] heptanethioate CAS Name: heptanethioic acid S-[4-(4-methoxyphenyl)-2-pyrimidinyl] ester IUPAC Name: S-[4-(4-methoxyphenyl)pyrimidin-2-yl] heptanethioate Traditional Name: heptanethioic acid S-[4-(4-methoxyphenyl)pyrimidin-2-yl] ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)SC1=NC=CC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCC(=O)SC1=NC=CC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22N2O2S/c1-3-4-5-6-7-17(21)23-18-19-13-12-16(20-18)14-8-10-15(22-2)11-9-14/h8-13H,3-7H2,1-2H3