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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C21H17N3O6S2 MolecularWeight: 471.50618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O6S2/c1-12(25)22-21-23-14(11-32-21)10-30-20(27)16-6-4-3-5-15(16)19(26)13-7-8-18(31-2)17(9-13)24(28)29/h3-9,11H,10H2,1-2H3,(H,22,23,25)