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

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (2-methyl-4-oxo-3-phenyl-chromen-7-yl) 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenylchromen-7-yl) 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (4-keto-2-methyl-3-phenyl-chromen-7-yl) ester Formula: C24H17NO6S MolecularWeight: 447.45988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CSC3=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)CSC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H17NO6S/c1-15-23(16-5-3-2-4-6-16)24(27)20-12-9-18(13-21(20)30-15)31-22(26)14-32-19-10-7-17(8-11-19)25(28)29/h2-13H,14H2,1H3