2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoate

Systemtic Name: 2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoate Openeye Name: 2-[[4-(3-nitrophenyl)thiazol-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[4-(3-nitrophenyl)-2-thiazolyl]methylthio]benzoate IUPAC Name: 2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[4-(3-nitrophenyl)thiazol-2-yl]methylthio]benzoate Formula: C17H11N2O4S2- MolecularWeight: 371.41024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])SCC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])SCC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O4S2/c20-17(21)13-6-1-2-7-15(13)24-10-16-18-14(9-25-16)11-4-3-5-12(8-11)19(22)23/h1-9H,10H2,(H,20,21)/p-1