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

Systemtic Name: ethyl 3-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]coumarilic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NNC(=N3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NNC(=N3)C(C)(C)C

InChI

InChI=1S/C18H21N3O3S/c1-5-23-15(22)14-12(11-8-6-7-9-13(11)24-14)10-25-17-19-16(20-21-17)18(2,3)4/h6-9H,5,10H2,1-4H3,(H,19,20,21)