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

Systemtic Name: methyl 4-methyl-2-[(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)methyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[5-(3-thienyl)tetrazol-2-yl]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[5-(3-thiophenyl)-2-tetrazolyl]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(5-thiophen-3-yltetrazol-2-yl)methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[5-(3-thienyl)tetrazol-2-yl]methyl]quinoline-3-carboxylic acid methyl ester Formula: C18H15N5O2S MolecularWeight: 365.409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3N=C(N=N3)C4=CSC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3N=C(N=N3)C4=CSC=C4)C(=O)OC

InChI

InChI=1S/C18H15N5O2S/c1-11-13-5-3-4-6-14(13)19-15(16(11)18(24)25-2)9-23-21-17(20-22-23)12-7-8-26-10-12/h3-8,10H,9H2,1-2H3