ethyl 3-[5-(3-ethoxycarbonylphenyl)-4-(2H-1,2,3,4-tetrazol-5-yl)thiophen-2-yl]benzoate

Systemtic Name: ethyl 3-[5-(3-ethoxycarbonylphenyl)-4-(2H-1,2,3,4-tetrazol-5-yl)thiophen-2-yl]benzoate Openeye Name: ethyl 3-[5-(3-ethoxycarbonylphenyl)-4-(2H-tetrazol-5-yl)-2-thienyl]benzoate CAS Name: 3-[5-(3-ethoxycarbonylphenyl)-4-(2H-tetrazol-5-yl)-2-thiophenyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[5-(3-ethoxycarbonylphenyl)-4-(2H-tetrazol-5-yl)thiophen-2-yl]benzoate Traditional Name: 3-[5-(3-carbethoxyphenyl)-4-(2H-tetrazol-5-yl)-2-thienyl]benzoic acid ethyl ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C2=CC(=C(S2)C3=CC(=CC=C3)C(=O)OCC)C4=NNN=N4

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=CC(=C(S2)C3=CC(=CC=C3)C(=O)OCC)C4=NNN=N4

InChI

InChI=1S/C23H20N4O4S/c1-3-30-22(28)16-9-5-7-14(11-16)19-13-18(21-24-26-27-25-21)20(32-19)15-8-6-10-17(12-15)23(29)31-4-2/h5-13H,3-4H2,1-2H3,(H,24,25,26,27)