ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-5-(phenylcarbamothioylamino)imidazole-4-carboxylate

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-5-(phenylcarbamothioylamino)imidazole-4-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-5-(phenylcarbamothioylamino)imidazole-4-carboxylate CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]-3-(2-ethoxy-2-oxoethyl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-5-(phenylcarbamothioylamino)imidazole-4-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-5-(phenylthiocarbamoylamino)imidazole-4-carboxylic acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC(=C1C(=O)OCC)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CN1C=NC(=C1C(=O)OCC)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C17H20N4O4S/c1-3-24-13(22)10-21-11-18-15(14(21)16(23)25-4-2)20-17(26)19-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,19,20,26)