methyl 4-[2-[5-(hydroxymethyl)-1-prop-2-enyl-imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-(hydroxymethyl)-1-prop-2-enyl-imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-allyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[5-(hydroxymethyl)-1-prop-2-enyl-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-(hydroxymethyl)-1-prop-2-enylimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-allyl-5-methylol-imidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2CC=C)CO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2CC=C)CO

InChI

InChI=1S/C17H19N3O4S/c1-3-8-20-14(10-21)9-18-17(20)25-11-15(22)19-13-6-4-12(5-7-13)16(23)24-2/h3-7,9,21H,1,8,10-11H2,2H3,(H,19,22)