[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C26H22N2O6S MolecularWeight: 490.52768

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H22N2O6S/c1-35-23-12-10-18(14-22(23)28(32)33)25(30)20-7-2-3-8-21(20)26(31)34-15-24(29)27-19-11-9-16-5-4-6-17(16)13-19/h2-3,7-14H,4-6,15H2,1H3,(H,27,29)