[4-(2-acetamidoethyl)-2,3-bis(ethanoylsulfanyl)-6-methoxy-phenyl] ethanoate

Systemtic Name: [4-(2-acetamidoethyl)-2,3-bis(ethanoylsulfanyl)-6-methoxy-phenyl] ethanoate Openeye Name: [4-(2-acetamidoethyl)-2,3-bis(acetylsulfanyl)-6-methoxy-phenyl] acetate CAS Name: acetic acid [4-(2-acetamidoethyl)-2,3-bis(acetylthio)-6-methoxyphenyl] ester IUPAC Name: [4-(2-acetamidoethyl)-2,3-bis(acetylsulfanyl)-6-methoxyphenyl] acetate Traditional Name: acetic acid [4-(2-acetamidoethyl)-2,3-bis(acetylthio)-6-methoxy-phenyl] ester Formula: C17H21NO6S2 MolecularWeight: 399.48174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC(=C(C(=C1SC(=O)C)SC(=O)C)OC(=O)C)OC

Isomeric SMILES

CC(=O)NCCC1=CC(=C(C(=C1SC(=O)C)SC(=O)C)OC(=O)C)OC

InChI

InChI=1S/C17H21NO6S2/c1-9(19)18-7-6-13-8-14(23-5)15(24-10(2)20)17(26-12(4)22)16(13)25-11(3)21/h8H,6-7H2,1-5H3,(H,18,19)