(2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) (2S)-2-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) (2S)-2-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (2-methyl-4-oxo-3-phenyl-chromen-7-yl) (2S)-2-(4-nitrophenyl)sulfanylpropanoate CAS Name: (2S)-2-[(4-nitrophenyl)thio]propanoic acid (2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenylchromen-7-yl) (2S)-2-(4-nitrophenyl)sulfanylpropanoate Traditional Name: (2S)-2-[(4-nitrophenyl)thio]propionic acid (4-keto-2-methyl-3-phenyl-chromen-7-yl) ester Formula: C25H19NO6S MolecularWeight: 461.48646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)[C@H](C)SC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H19NO6S/c1-15-23(17-6-4-3-5-7-17)24(27)21-13-10-19(14-22(21)31-15)32-25(28)16(2)33-20-11-8-18(9-12-20)26(29)30/h3-14,16H,1-2H3/t16-/m0/s1