[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC2=C(CCC2)C=C1)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=CC2=C(CCC2)C=C1)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5S/c1-13(28-18-9-7-17(8-10-18)22(25)26)20(24)27-12-19(23)21-16-6-5-14-3-2-4-15(14)11-16/h5-11,13H,2-4,12H2,1H3,(H,21,23)/t13-/m1/s1