O-[1-imidazol-1-yl-2-(3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-2-methylsulfanyl-ethyl] methanethioate

Systemtic Name: O-[1-imidazol-1-yl-2-(3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-2-methylsulfanyl-ethyl] methanethioate Openeye Name: O-[1-imidazol-1-yl-2-(3-methyl-4,5-dihydrobenzothiophen-2-yl)-2-methylsulfanyl-ethyl] methanethioate CAS Name: methanethioic acid O-[1-(1-imidazolyl)-2-(3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-2-(methylthio)ethyl] ester IUPAC Name: O-[1-imidazol-1-yl-2-(3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-2-methylsulfanylethyl] methanethioate Traditional Name: methanethioic acid O-[1-imidazol-1-yl-2-(3-methyl-4,5-dihydrobenzothiophen-2-yl)-2-(methylthio)ethyl] ester Formula: C16H18N2OS3 MolecularWeight: 350.52192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1CCC=C2)C(C(N3C=CN=C3)OC=S)SC

Isomeric SMILES

CC1=C(SC2=C1CCC=C2)C(C(N3C=CN=C3)OC=S)SC

InChI

InChI=1S/C16H18N2OS3/c1-11-12-5-3-4-6-13(12)22-14(11)15(21-2)16(19-10-20)18-8-7-17-9-18/h4,6-10,15-16H,3,5H2,1-2H3