methyl 4-[2-(2,3-dihydro-1-benzofuran-3-yl)ethylcarbamothioylsulfanyl]butanoate

Systemtic Name: methyl 4-[2-(2,3-dihydro-1-benzofuran-3-yl)ethylcarbamothioylsulfanyl]butanoate Openeye Name: methyl 4-[2-(2,3-dihydrobenzofuran-3-yl)ethylcarbamothioylsulfanyl]butanoate CAS Name: 4-[[[2-(2,3-dihydrobenzofuran-3-yl)ethylamino]-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(2,3-dihydro-1-benzofuran-3-yl)ethylcarbamothioylsulfanyl]butanoate Traditional Name: 4-(2-coumaran-3-ylethylthiocarbamoylthio)butyric acid methyl ester Formula: C16H21NO3S2 MolecularWeight: 339.47284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC(=S)NCCC1COC2=CC=CC=C12

Isomeric SMILES

COC(=O)CCCSC(=S)NCCC1COC2=CC=CC=C12

InChI

InChI=1S/C16H21NO3S2/c1-19-15(18)7-4-10-22-16(21)17-9-8-12-11-20-14-6-3-2-5-13(12)14/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,21)