2-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzoic acid

Systemtic Name: 2-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzoic acid Openeye Name: 2-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]benzoic acid CAS Name: 2-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]benzoic acid IUPAC Name: 2-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzoic acid Traditional Name: 2-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]methylthio]benzoic acid Formula: C29H26N2O4S MolecularWeight: 498.59274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2CSC3=CC=CC=C3C(=O)O)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2CSC3=CC=CC=C3C(=O)O)OC(CN4C=CN=C4)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C29H26N2O4S/c32-25-11-6-10-21-22(25)13-14-26(24(21)18-36-28-12-5-4-9-23(28)29(33)34)35-27(17-31-16-15-30-19-31)20-7-2-1-3-8-20/h1-5,7-9,12-16,19,27H,6,10-11,17-18H2,(H,33,34)