methyl 4-[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(2-furylmethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(2-furanylmethyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2-furfuryl)imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=CO3

InChI

InChI=1S/C18H17N3O4S/c1-24-17(23)13-4-6-14(7-5-13)20-16(22)12-26-18-19-8-9-21(18)11-15-3-2-10-25-15/h2-10H,11-12H2,1H3,(H,20,22)