(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-nitrophenyl)thio]propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (2S)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)[C@H](C)SC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H19NO6S/c1-12-8-18-15(10-20(23)28-19(18)9-13(12)2)11-27-21(24)14(3)29-17-6-4-16(5-7-17)22(25)26/h4-10,14H,11H2,1-3H3/t14-/m0/s1