methyl 4-[2-(1-benzothiophen-2-yl)ethylcarbamothioylsulfanyl]butanoate

Systemtic Name: methyl 4-[2-(1-benzothiophen-2-yl)ethylcarbamothioylsulfanyl]butanoate Openeye Name: methyl 4-[2-(benzothiophen-2-yl)ethylcarbamothioylsulfanyl]butanoate CAS Name: 4-[[[2-(1-benzothiophen-2-yl)ethylamino]-sulfanylidenemethyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(1-benzothiophen-2-yl)ethylcarbamothioylsulfanyl]butanoate Traditional Name: 4-[2-(benzothiophen-2-yl)ethylthiocarbamoylthio]butyric acid methyl ester Formula: C16H19NO2S3 MolecularWeight: 353.52256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC(=S)NCCC1=CC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCSC(=S)NCCC1=CC2=CC=CC=C2S1

InChI

InChI=1S/C16H19NO2S3/c1-19-15(18)7-4-10-21-16(20)17-9-8-13-11-12-5-2-3-6-14(12)22-13/h2-3,5-6,11H,4,7-10H2,1H3,(H,17,20)