[4-[3-(2-ethanoylsulfanylimidazol-1-yl)propyl]phenyl] ethanoate

Systemtic Name: [4-[3-(2-ethanoylsulfanylimidazol-1-yl)propyl]phenyl] ethanoate Openeye Name: [4-[3-(2-acetylsulfanylimidazol-1-yl)propyl]phenyl] acetate CAS Name: acetic acid [4-[3-[2-(acetylthio)-1-imidazolyl]propyl]phenyl] ester IUPAC Name: [4-[3-(2-acetylsulfanylimidazol-1-yl)propyl]phenyl] acetate Traditional Name: acetic acid [4-[3-[2-(acetylthio)imidazol-1-yl]propyl]phenyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CCCN2C=CN=C2SC(=O)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CCCN2C=CN=C2SC(=O)C

InChI

InChI=1S/C16H18N2O3S/c1-12(19)21-15-7-5-14(6-8-15)4-3-10-18-11-9-17-16(18)22-13(2)20/h5-9,11H,3-4,10H2,1-2H3