[4-(2-acetamidoethylsulfanyl)phenyl] ethanoate; N-[2-(4-hydroxyphenyl)sulfanylethyl]ethanamide

Systemtic Name: [4-(2-acetamidoethylsulfanyl)phenyl] ethanoate; N-[2-(4-hydroxyphenyl)sulfanylethyl]ethanamide Openeye Name: [4-(2-acetamidoethylsulfanyl)phenyl] acetate; N-[2-(4-hydroxyphenyl)sulfanylethyl]acetamide CAS Name: acetic acid [4-(2-acetamidoethylthio)phenyl] ester; N-[2-[(4-hydroxyphenyl)thio]ethyl]acetamide IUPAC Name: [4-(2-acetamidoethylsulfanyl)phenyl] acetate; N-[2-(4-hydroxyphenyl)sulfanylethyl]acetamide Traditional Name: acetic acid [4-(2-acetamidoethylthio)phenyl] ester; N-[2-[(4-hydroxyphenyl)thio]ethyl]acetamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=CC=C(C=C1)O.CC(=O)NCCSC1=CC=C(C=C1)OC(=O)C

Isomeric SMILES

CC(=O)NCCSC1=CC=C(C=C1)O.CC(=O)NCCSC1=CC=C(C=C1)OC(=O)C

InChI

InChI=1S/C12H15NO3S.C10H13NO2S/c1-9(14)13-7-8-17-12-5-3-11(4-6-12)16-10(2)15;1-8(12)11-6-7-14-10-4-2-9(13)3-5-10/h3-6H,7-8H2,1-2H3,(H,13,14);2-5,13H,6-7H2,1H3,(H,11,12)