ethyl 2-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[1-(furan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[1-(2-furylmethyl)tetrazol-5-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[1-(2-furanylmethyl)-5-tetrazolyl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[1-(2-furfuryl)tetrazol-5-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3CC4=CC=CO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3CC4=CC=CO4)C

InChI

InChI=1S/C20H19N5O3S/c1-3-27-19(26)18-13(2)15-8-4-5-9-16(15)21-17(18)12-29-20-22-23-24-25(20)11-14-7-6-10-28-14/h4-10H,3,11-12H2,1-2H3