(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 3-(1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 3-(tetrazol-1-yl)thiophene-2-carboxylate CAS Name: 3-(1-tetrazolyl)-2-thiophenecarboxylic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 3-(tetrazol-1-yl)thiophene-2-carboxylate Traditional Name: 3-(tetrazol-1-yl)thiophene-2-carboxylic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C17H12ClN5O3S MolecularWeight: 401.82688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=C(C=CS3)N4C=NN=N4)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=C(C=CS3)N4C=NN=N4)Cl

InChI

InChI=1S/C17H12ClN5O3S/c1-25-12-3-2-10-6-11(16(18)20-13(10)7-12)8-26-17(24)15-14(4-5-27-15)23-9-19-21-22-23/h2-7,9H,8H2,1H3