(3-chloranyl-4-methyl-quinolin-2-yl)methyl 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 2-[5-(3-thienyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(3-thiophenyl)-2-tetrazolyl]acetic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(3-thienyl)tetrazol-2-yl]acetic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C18H14ClN5O2S MolecularWeight: 399.85406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN5O2S/c1-11-13-4-2-3-5-14(13)20-15(17(11)19)9-26-16(25)8-24-22-18(21-23-24)12-6-7-27-10-12/h2-7,10H,8-9H2,1H3