methyl 3-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzoate

Systemtic Name: methyl 3-[[2-(2-imidazol-1-yl-1-phenyl-ethoxy)-5-oxidanylidene-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzoate Openeye Name: methyl 3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-oxo-tetralin-5-yl]methylsulfanyl]benzoate CAS Name: 3-[[2-[2-(1-imidazolyl)-1-phenylethoxy]-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylthio]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-imidazol-1-yl-1-phenylethoxy)-5-oxo-7,8-dihydro-6H-naphthalen-1-yl]methylsulfanyl]benzoate Traditional Name: 3-[[6-(2-imidazol-1-yl-1-phenyl-ethoxy)-1-keto-tetralin-5-yl]methylthio]benzoic acid methyl ester Formula: C30H28N2O4S MolecularWeight: 512.61932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)SCC2=C(C=CC3=C2CCCC3=O)OC(CN4C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O4S/c1-35-30(34)22-9-5-10-23(17-22)37-19-26-24-11-6-12-27(33)25(24)13-14-28(26)36-29(18-32-16-15-31-20-32)21-7-3-2-4-8-21/h2-5,7-10,13-17,20,29H,6,11-12,18-19H2,1H3