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

Systemtic Name: ethyl 4-methyl-2-[[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[1-(tetrahydrofuran-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[1-(2-oxolanylmethyl)-5-tetrazolyl]thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[1-(tetrahydrofurfuryl)tetrazol-5-yl]thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3CC4CCCO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3CC4CCCO4)C

InChI

InChI=1S/C20H23N5O3S/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/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3