[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C24H26N2O6S MolecularWeight: 470.53804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H26N2O6S/c1-33-21-13-12-16(14-20(21)26(30)31)23(28)18-10-6-7-11-19(18)24(29)32-15-22(27)25-17-8-4-2-3-5-9-17/h6-7,10-14,17H,2-5,8-9,15H2,1H3,(H,25,27)