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

Systemtic Name: ethyl 2-[[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[1-(3-acetamidophenyl)-5-tetrazolyl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[1-(3-acetamidophenyl)tetrazol-5-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C23H22N6O3S MolecularWeight: 462.52418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C4=CC(=CC=C4)NC(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=NN3C4=CC(=CC=C4)NC(=O)C)C

InChI

InChI=1S/C23H22N6O3S/c1-4-32-22(31)21-14(2)18-10-5-6-11-19(18)25-20(21)13-33-23-26-27-28-29(23)17-9-7-8-16(12-17)24-15(3)30/h5-12H,4,13H2,1-3H3,(H,24,30)