[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C20H20N2O7S2 MolecularWeight: 464.512

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC3=C(CCC3)C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C2=CC3=C(CCC3)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7S2/c1-30-19-8-7-16(10-17(19)22(25)26)31(27,28)21-11-20(24)29-12-18(23)15-6-5-13-3-2-4-14(13)9-15/h5-10,21H,2-4,11-12H2,1H3