(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (1-butyltetrazol-5-yl)methyl ester Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C20H19N5O2S/c1-2-3-10-25-19(22-23-24-25)13-27-20(26)15-12-17(18-9-6-11-28-18)21-16-8-5-4-7-14(15)16/h4-9,11-12H,2-3,10,13H2,1H3