[4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 3-methylbut-2-enoate

Systemtic Name: [4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 3-methylbut-2-enoate Openeye Name: [4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [4-acetyl-2-[(2-pyrimidinylthio)methyl]phenyl] ester IUPAC Name: [4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [4-acetyl-2-[(2-pyrimidylthio)methyl]phenyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC1=C(C=C(C=C1)C(=O)C)CSC2=NC=CC=N2)C

Isomeric SMILES

CC(=CC(=O)OC1=C(C=C(C=C1)C(=O)C)CSC2=NC=CC=N2)C

InChI

InChI=1S/C18H18N2O3S/c1-12(2)9-17(22)23-16-6-5-14(13(3)21)10-15(16)11-24-18-19-7-4-8-20-18/h4-10H,11H2,1-3H3