methyl 2-(2-imidazol-1-yl-2-methanethioyloxy-1-methylsulfanyl-ethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2-(2-imidazol-1-yl-2-methanethioyloxy-1-methylsulfanyl-ethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-(2-imidazol-1-yl-2-methanethioyloxy-1-methylsulfanyl-ethyl)-4,5,6,7-tetrahydrobenzothiophene-6-carboxylate CAS Name: 2-[2-(1-imidazolyl)-2-methanethioyloxy-1-(methylthio)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-imidazol-1-yl-2-methanethioyloxy-1-methylsulfanylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate Traditional Name: 2-[2-imidazol-1-yl-1-(methylthio)-2-thioformyloxy-ethyl]-4,5,6,7-tetrahydrobenzothiophene-6-carboxylic acid methyl ester Formula: C17H20N2O3S3 MolecularWeight: 396.5473

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC2=C(C1)SC(=C2)C(C(N3C=CN=C3)OC=S)SC

Isomeric SMILES

COC(=O)C1CCC2=C(C1)SC(=C2)C(C(N3C=CN=C3)OC=S)SC

InChI

InChI=1S/C17H20N2O3S3/c1-21-17(20)12-4-3-11-7-14(25-13(11)8-12)15(24-2)16(22-10-23)19-6-5-18-9-19/h5-7,9-10,12,15-16H,3-4,8H2,1-2H3