[4-acetamido-5,5-bis(ethylsulfanyl)-2,3-bis(oxidanyl)pentyl] benzoate

Systemtic Name: [4-acetamido-5,5-bis(ethylsulfanyl)-2,3-bis(oxidanyl)pentyl] benzoate Openeye Name: [4-acetamido-5,5-bis(ethylsulfanyl)-2,3-dihydroxy-pentyl] benzoate CAS Name: benzoic acid [4-acetamido-5,5-bis(ethylthio)-2,3-dihydroxypentyl] ester IUPAC Name: [4-acetamido-5,5-bis(ethylsulfanyl)-2,3-dihydroxypentyl] benzoate Traditional Name: benzoic acid [4-acetamido-5,5-bis(ethylthio)-2,3-dihydroxy-pentyl] ester Formula: C18H27NO5S2 MolecularWeight: 401.54068

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(C(C(COC(=O)C1=CC=CC=C1)O)O)NC(=O)C)SCC

Isomeric SMILES

CCSC(C(C(C(COC(=O)C1=CC=CC=C1)O)O)NC(=O)C)SCC

InChI

InChI=1S/C18H27NO5S2/c1-4-25-18(26-5-2)15(19-12(3)20)16(22)14(21)11-24-17(23)13-9-7-6-8-10-13/h6-10,14-16,18,21-22H,4-5,11H2,1-3H3,(H,19,20)