2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methylsulfanyl]benzoate

Systemtic Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methylsulfanyl]benzoate Openeye Name: 2-[(4-tetralin-6-ylthiazol-2-yl)methylsulfanyl]benzoate CAS Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-thiazolyl]methylthio]benzoate IUPAC Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[(4-tetralin-6-ylthiazol-2-yl)methylthio]benzoate Formula: C21H18NO2S2- MolecularWeight: 380.50312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C3=CSC(=N3)CSC4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C3=CSC(=N3)CSC4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C21H19NO2S2/c23-21(24)17-7-3-4-8-19(17)25-13-20-22-18(12-26-20)16-10-9-14-5-1-2-6-15(14)11-16/h3-4,7-12H,1-2,5-6,13H2,(H,23,24)/p-1