(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-phenylsulfanylpropanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-phenylsulfanylpropanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C20H18O5S MolecularWeight: 370.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C(C)SC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)[C@H](C)SC3=CC=CC=C3)O

InChI

InChI=1S/C20H18O5S/c1-12-17(21)9-8-16-14(10-18(22)25-19(12)16)11-24-20(23)13(2)26-15-6-4-3-5-7-15/h3-10,13,21H,11H2,1-2H3/t13-/m0/s1