(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-nitrophenyl)thio]propanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl (2R)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-nitrophenyl)thio]propionic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C20H17NO7S MolecularWeight: 415.41648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)OCC1=CC(=O)OC2=C1C=CC(=C2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17NO7S/c1-12(29-16-6-3-14(4-7-16)21(24)25)20(23)27-11-13-9-19(22)28-18-10-15(26-2)5-8-17(13)18/h3-10,12H,11H2,1-2H3/t12-/m1/s1