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

Systemtic Name: ethyl 2-[2-[5-(hydroxymethyl)-1-prop-2-enyl-imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[1-allyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[5-(hydroxymethyl)-1-prop-2-enyl-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[5-(hydroxymethyl)-1-prop-2-enylimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-allyl-5-methylol-imidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(N2CC=C)CO

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(N2CC=C)CO

InChI

InChI=1S/C18H21N3O4S/c1-3-9-21-13(11-22)10-19-18(21)26-12-16(23)20-15-8-6-5-7-14(15)17(24)25-4-2/h3,5-8,10,22H,1,4,9,11-12H2,2H3,(H,20,23)