tert-butyl 2-[2-(4-methylphenoxy)ethylcarbamothioylsulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[2-(4-methylphenoxy)ethylcarbamothioylsulfanyl]ethanoate Openeye Name: tert-butyl 2-[2-(4-methylphenoxy)ethylcarbamothioylsulfanyl]acetate CAS Name: 2-[[[2-(4-methylphenoxy)ethylamino]-sulfanylidenemethyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(4-methylphenoxy)ethylcarbamothioylsulfanyl]acetate Traditional Name: 2-[2-(4-methylphenoxy)ethylthiocarbamoylthio]acetic acid tert-butyl ester Formula: C16H23NO3S2 MolecularWeight: 341.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCNC(=S)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCNC(=S)SCC(=O)OC(C)(C)C

InChI

InChI=1S/C16H23NO3S2/c1-12-5-7-13(8-6-12)19-10-9-17-15(21)22-11-14(18)20-16(2,3)4/h5-8H,9-11H2,1-4H3,(H,17,21)