4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophen-2-yl]benzoic acid

Systemtic Name: 4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophen-2-yl]benzoic acid Openeye Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-thienyl]benzoic acid CAS Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[[(1-methyl-2-imidazolyl)thio]methyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophen-2-yl]benzoic acid Traditional Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[[(1-methylimidazol-2-yl)thio]methyl]-2-thienyl]benzoic acid Formula: C28H28N2O4S2 MolecularWeight: 520.66292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=C(SC(=C2)C3=CC(=C(C=C3)OC)OC4CCCC4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CN1C=CN=C1SCC2=C(SC(=C2)C3=CC(=C(C=C3)OC)OC4CCCC4)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H28N2O4S2/c1-30-14-13-29-28(30)35-17-21-16-25(36-26(21)18-7-9-19(10-8-18)27(31)32)20-11-12-23(33-2)24(15-20)34-22-5-3-4-6-22/h7-16,22H,3-6,17H2,1-2H3,(H,31,32)