methyl 4-(2-imidazol-1-yl-1-thiophen-2-yl-ethyl)sulfanylbenzoate

Systemtic Name: methyl 4-(2-imidazol-1-yl-1-thiophen-2-yl-ethyl)sulfanylbenzoate Openeye Name: methyl 4-[2-imidazol-1-yl-1-(2-thienyl)ethyl]sulfanylbenzoate CAS Name: 4-[[2-(1-imidazolyl)-1-thiophen-2-ylethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-(2-imidazol-1-yl-1-thiophen-2-ylethyl)sulfanylbenzoate Traditional Name: 4-[[2-imidazol-1-yl-1-(2-thienyl)ethyl]thio]benzoic acid methyl ester Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3=CC=CS3

InChI

InChI=1S/C17H16N2O2S2/c1-21-17(20)13-4-6-14(7-5-13)23-16(15-3-2-10-22-15)11-19-9-8-18-12-19/h2-10,12,16H,11H2,1H3