(2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (2-propylthiazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (2-propyl-4-thiazolyl)methyl ester IUPAC Name: (2-propyl-1,3-thiazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (2-propylthiazol-4-yl)methyl ester Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CS1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NC(=CS1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O5S2/c1-3-6-20-23-15(13-31-20)12-29-22(26)17-8-5-4-7-16(17)21(25)14-9-10-19(30-2)18(11-14)24(27)28/h4-5,7-11,13H,3,6,12H2,1-2H3