3-[5-(3-carboxyphenyl)-4-(1-methyl-1,2,3,4-tetrazol-5-yl)thiophen-2-yl]benzoic acid

Systemtic Name: 3-[5-(3-carboxyphenyl)-4-(1-methyl-1,2,3,4-tetrazol-5-yl)thiophen-2-yl]benzoic acid Openeye Name: 3-[5-(3-carboxyphenyl)-4-(1-methyltetrazol-5-yl)-2-thienyl]benzoic acid CAS Name: 3-[5-(3-carboxyphenyl)-4-(1-methyl-5-tetrazolyl)-2-thiophenyl]benzoic acid IUPAC Name: 3-[5-(3-carboxyphenyl)-4-(1-methyltetrazol-5-yl)thiophen-2-yl]benzoic acid Traditional Name: 3-[5-(3-carboxyphenyl)-4-(1-methyltetrazol-5-yl)-2-thienyl]benzoic acid Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)C2=C(SC(=C2)C3=CC(=CC=C3)C(=O)O)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)C2=C(SC(=C2)C3=CC(=CC=C3)C(=O)O)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C20H14N4O4S/c1-24-18(21-22-23-24)15-10-16(11-4-2-6-13(8-11)19(25)26)29-17(15)12-5-3-7-14(9-12)20(27)28/h2-10H,1H3,(H,25,26)(H,27,28)