(7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2S)-2-phenyl-2-(phenylthio)acetic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl (2S)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2S)-2-phenyl-2-(phenylthio)acetic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H20O4S MolecularWeight: 416.4889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H20O4S/c1-17-12-13-21-19(15-23(26)29-22(21)14-17)16-28-25(27)24(18-8-4-2-5-9-18)30-20-10-6-3-7-11-20/h2-15,24H,16H2,1H3/t24-/m0/s1