methyl 4-[1-(furan-2-yl)-2-imidazol-1-yl-ethyl]sulfanylbenzoate

Systemtic Name: methyl 4-[1-(furan-2-yl)-2-imidazol-1-yl-ethyl]sulfanylbenzoate Openeye Name: methyl 4-[1-(2-furyl)-2-imidazol-1-yl-ethyl]sulfanylbenzoate CAS Name: 4-[[1-(2-furanyl)-2-(1-imidazolyl)ethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(furan-2-yl)-2-imidazol-1-ylethyl]sulfanylbenzoate Traditional Name: 4-[[1-(2-furyl)-2-imidazol-1-yl-ethyl]thio]benzoic acid methyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC(CN2C=CN=C2)C3=CC=CO3

InChI

InChI=1S/C17H16N2O3S/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