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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OC(=O)C)N2C=CN=C2SC(=O)C

Isomeric SMILES

CCC(C1=CC=C(C=C1)OC(=O)C)N2C=CN=C2SC(=O)C

InChI

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