ethyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C4CC4)C5CC5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(N3C4CC4)C5CC5

InChI

InChI=1S/C20H21N3O3S/c1-2-25-19(24)17-15(14-5-3-4-6-16(14)26-17)11-27-20-22-21-18(12-7-8-12)23(20)13-9-10-13/h3-6,12-13H,2,7-11H2,1H3