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

Systemtic Name: ethyl 2-[[1-(2-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[1-(2-ethoxyphenyl)-5-tetrazolyl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(1-o-phenetyltetrazol-5-yl)thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=C3C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=C3C(=O)OCC)C

InChI

InChI=1S/C23H23N5O3S/c1-4-30-20-13-9-8-12-19(20)28-23(25-26-27-28)32-14-18-21(22(29)31-5-2)15(3)16-10-6-7-11-17(16)24-18/h6-13H,4-5,14H2,1-3H3