ethyl 5-bromanyl-3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]coumarilic acid ethyl ester Formula: C16H15BrN4O3S MolecularWeight: 423.2843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=NN3C4CC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)CSC3=NN=NN3C4CC4

InChI

InChI=1S/C16H15BrN4O3S/c1-2-23-15(22)14-12(11-7-9(17)3-6-13(11)24-14)8-25-16-18-19-20-21(16)10-4-5-10/h3,6-7,10H,2,4-5,8H2,1H3