(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-nitrophenyl)thio]propanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]propionic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19NO6S/c1-3-14-4-9-18-15(11-20(23)28-19(18)10-14)12-27-21(24)13(2)29-17-7-5-16(6-8-17)22(25)26/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1