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

Systemtic Name: ethyl 2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(1-cyclopentyl-5-tetrazolyl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(1-cyclopentyltetrazol-5-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C4CCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C4CCCC4)C

InChI

InChI=1S/C20H23N5O2S/c1-3-27-19(26)18-13(2)15-10-6-7-11-16(15)21-17(18)12-28-20-22-23-24-25(20)14-8-4-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3